3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one

C22H14Cl2O2 — CID 2728980

IUPAC3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one
SMILESO=c1c(Cc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C22H14Cl2O2/c23-18-11-10-14(13-19(18)24)12-17-21(25)16-8-4-5-9-20(16)26-22(17)15-6-2-1-3-7-15/h1-11,13H,12H2
InChIKeyUVPMAJPGYRIVGT-UHFFFAOYSA-N
MW381.26 g/mol
LogP6.36
Rot. Bonds3

About 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one

3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one (PubChem CID 2728980) has the molecular formula C22H14Cl2O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one
PubChem CID2728980
Molecular FormulaC22H14Cl2O2
Molecular Weight381.26 g/mol
Exact Mass380.04
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one
SMILESO=c1c(Cc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C22H14Cl2O2/c23-18-11-10-14(13-19(18)24)12-17-21(25)16-8-4-5-9-20(16)26-22(17)15-6-2-1-3-7-15/h1-11,13H,12H2
InChIKeyUVPMAJPGYRIVGT-UHFFFAOYSA-N
XLogP6.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.26
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one (CID 2728980) is 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one is O=c1c(Cc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one?
The InChIKey is UVPMAJPGYRIVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2O2/c23-18-11-10-14(13-19(18)24)12-17-21(25)16-8-4-5-9-20(16)26-22(17)15-6-2-1-3-7-15/h1-11,13H,12H2.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one?
3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one has a molecular weight of 381.26 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-2-phenylchromen-4-one is sourced from PubChem (CID 2728980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).