1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one

C23H20O4 — CID 122366493

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one
SMILESO=C(CCc1ccccc1OCc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H20O4/c24-20(19-11-13-22-23(14-19)27-16-26-22)12-10-18-8-4-5-9-21(18)25-15-17-6-2-1-3-7-17/h1-9,11,13-14H,10,12,15-16H2
InChIKeyGGVKLKJPHVLRFN-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.81
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one

1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one (PubChem CID 122366493) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one
PubChem CID122366493
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one
SMILESO=C(CCc1ccccc1OCc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H20O4/c24-20(19-11-13-22-23(14-19)27-16-26-22)12-10-18-8-4-5-9-21(18)25-15-17-6-2-1-3-7-17/h1-9,11,13-14H,10,12,15-16H2
InChIKeyGGVKLKJPHVLRFN-UHFFFAOYSA-N
XLogP4.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(1,3-benzodioxol-5-ylmethoxy)phenyl]heptanoic acid
CID 139921861
1,3-bis(1,3-benzodioxol-5-yl)propan-1-one
CID 121289567
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7625798
1-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 90354573
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
1-(1,3-benzodioxol-5-yl)-3-(4-propoxyphenyl)propan-1-one
CID 53415848
N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2592939
1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;ethane
CID 144689380
1-(1,3-benzodioxol-5-yl)-3-methyl-4-phenylbutan-1-one
CID 150018494
(1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 59967873
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7221943

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one (CID 122366493) is 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one is O=C(CCc1ccccc1OCc1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one?
The InChIKey is GGVKLKJPHVLRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c24-20(19-11-13-22-23(14-19)27-16-26-22)12-10-18-8-4-5-9-21(18)25-15-17-6-2-1-3-7-17/h1-9,11,13-14H,10,12,15-16H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one?
1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one has a molecular weight of 360.41 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 122366493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).