5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole

C20H15ClO2 — CID 173288243

IUPAC5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole
SMILESClc1cccc(-c2ccccc2)c1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H15ClO2/c21-18-8-4-7-16(15-5-2-1-3-6-15)17(18)11-14-9-10-19-20(12-14)23-13-22-19/h1-10,12H,11,13H2
InChIKeyUZTFQHRPFNFRML-UHFFFAOYSA-N
MW322.79 g/mol
LogP5.33
Rot. Bonds3

About 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole

5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole (PubChem CID 173288243) has the molecular formula C20H15ClO2 and a molecular weight of 322.79 g/mol. Its IUPAC name is 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole
PubChem CID173288243
Molecular FormulaC20H15ClO2
Molecular Weight322.79 g/mol
Exact Mass322.08
IUPAC Name5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole
SMILESClc1cccc(-c2ccccc2)c1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H15ClO2/c21-18-8-4-7-16(15-5-2-1-3-6-15)17(18)11-14-9-10-19-20(12-14)23-13-22-19/h1-10,12H,11,13H2
InChIKeyUZTFQHRPFNFRML-UHFFFAOYSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.79
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole 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

1-(1,3-benzodioxol-5-yl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 4718012
1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)methyl]methanamine
CID 4718013
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
CID 42776726
N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
CID 86077029
2-(1,3-benzodioxol-5-yl)-N'-[(2-chlorophenyl)methyl]ethanimidamide;hydrochloride
CID 69189906
[3-(1,3-benzodioxol-5-yl)phenyl]methanol
CID 118042431
3-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)benzo[f][1]benzofuran-4,9-dione
CID 102450132
2-(1,3-benzodioxol-5-ylmethyl)indene-1,3-dione
CID 171384168
N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrimidin-4-amine
CID 75384889
1,3-benzodioxol-5-ylmethyl(trifluoro)boranuide
CID 138967378
5-(2-chloroethyl)-1,3-benzodioxole
CID 15815969
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylbenzenesulfonamide
CID 30173939

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole?
The IUPAC name of 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole (CID 173288243) is 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole?
The canonical SMILES for 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole is Clc1cccc(-c2ccccc2)c1Cc1ccc2c(c1)OCO2.
What is the InChIKey of 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole?
The InChIKey is UZTFQHRPFNFRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO2/c21-18-8-4-7-16(15-5-2-1-3-6-15)17(18)11-14-9-10-19-20(12-14)23-13-22-19/h1-10,12H,11,13H2.
What are the key properties of 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole?
5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole has a molecular weight of 322.79 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-phenylphenyl)methyl]-1,3-benzodioxole is sourced from PubChem (CID 173288243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).