Home Structure This Compound
loading

Structure & Deep Data of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one (C10H10O3)

Identification of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one Chemical Compound

2D chemical structure image of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one
Chemical Formula C10H10O3
Molecular Weight 178.1846 g/mol
IUPAC Name 1-(2H-1,3-benzodioxol-5-yl)propan-1-one
SMILES String CCC(=O)c2ccc1OCOc1c2
InChI InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3
InChIKey RVBJGSPBFIUTTR-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one molecule contains a total of 24 bond(s). There are 14 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 ketone(s) (aromatic), and 2 ether(s) (aromatic). Images of the chemical structure of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one are given below:

2D chemical structure image of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one
2-dimensional (2D) chemical structure image of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one
3D chemical structure image of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one
3-dimensional (3D) chemical structure image of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one

The 2D chemical structure image of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one. Download structure data file (SDF/MOL) file of this compound.


chemical table area

loading image

Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one is provided here.

The 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


Search Another Chemical Structure

Enter another compound to search for chemical structure:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one Molecule

  • Other names (synonyms) or registry numbers of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one

    The 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one including the various registry numbers, if available:

    • BBV-34553140
    • AR-1G9444
    • 1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)propan-1-one
    • 1-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)propan-1-one
    • J-017030
    • I14-3272
    • 1-(3,4-METHYLENEDIOXYPHENYL)-1-PROPANONE
    • Propiophenone, 3',4'-(methylenedioxy)- (8CI)
    • 3',4'-(Methylenedioxy)propiophenone, AldrichCPR
    • 1-BENZO[1,3]DIOXOL-5-YL-PROPAN-1-ONE
    • X8231
    • 3,4-5(METHYLENEDIOXY)PROPIOPHENONE
    • 1-Propanone,1-(1,3-benzodioxol-5-yl)-
    • 1-(1,3-benzodioxol-5-yl)-propan-1-one
    • Propiophenone, 3',4'-(methylenedioxy)-
    • 3',4'-(METHYLENEDIOXY)PROPIOPHE
    • 3,4-(Methylenedioxyphenyl)-1-propanone
    • 1,3-BENZODIOXOLE-5-PROPANOYL
    • MFCD00016652
    • ANW-46051
    • OTAVA-BB 1312982
    • 3,4-Methylenedioxy Propiophenone
    • 5-Propanoyl-1,3-benzodioxole
    • 5-propanoylbenzo[1,3]dioxol
    • 3,4- PROPIOPHENONE
    • 3,4-(METHYLENEDIOXY)PROPIOPHENONE
    • 3,4-Methylenedioxypropiophenone
    • 3',4'-Methylenedioxypropiophenone
    • 5-propionyl-1,3-benzodioxole
    • 1-(1,3-Benzodioxol-5-yl)propan-1-one
    • 1-Propanone, 1-(1,3-benzodioxol-5-yl)-
    • 3',4'-(Methylenedioxy)propiophenone
    • 1-(1,3-Benzodioxol-5-yl)-1-propanone
    • 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one
    • 28281-49-4

1-(benzo[d][1,3]dioxol-5-yl)propan-1-one Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one?
C10H10O3
How many atoms and what are the elements included the 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one molecule?
23 atom(s) - 10 Hydrogen atom(s), 10 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one structure?
24 bond(s) - 14 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 ketone(s) (aromatic), and 2 ether(s) (aromatic)
What’s the 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one’s molecular weight?
178.1846 g/mol
What’s the SMILES code of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one?
CCC(=O)c2ccc1OCOc1c2
What’s the InChI string of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one?
InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3
What’s the InChIKey code of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one?
RVBJGSPBFIUTTR-UHFFFAOYSA-N

1142 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

Subscribe to our newsletter

Join our subscribers list to get the latest news, updates and special offers delivered directly in your inbox.