6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one

C25H20O3 — CID 6540171

IUPAC6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one
SMILESCC(=O)c1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1
InChIInChI=1S/C25H20O3/c1-15-13-22-25(21(14-23(27)28-22)19-7-5-4-6-8-19)16(2)24(15)20-11-9-18(10-12-20)17(3)26/h4-14H,1-3H3
InChIKeyOGNZVMBOUJSIGK-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.95
Rot. Bonds3

About 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one

6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one (PubChem CID 6540171) has the molecular formula C25H20O3 and a molecular weight of 368.43 g/mol. Its IUPAC name is 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one
PubChem CID6540171
Molecular FormulaC25H20O3
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one
SMILESCC(=O)c1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1
InChIInChI=1S/C25H20O3/c1-15-13-22-25(21(14-23(27)28-22)19-7-5-4-6-8-19)16(2)24(15)20-11-9-18(10-12-20)17(3)26/h4-14H,1-3H3
InChIKeyOGNZVMBOUJSIGK-UHFFFAOYSA-N
XLogP5.95
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-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 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one?
The IUPAC name of 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one (CID 6540171) is 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one.
What is the SMILES notation for 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one?
The canonical SMILES for 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one is CC(=O)c1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1.
What is the InChIKey of 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one?
The InChIKey is OGNZVMBOUJSIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O3/c1-15-13-22-25(21(14-23(27)28-22)19-7-5-4-6-8-19)16(2)24(15)20-11-9-18(10-12-20)17(3)26/h4-14H,1-3H3.
What are the key properties of 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one?
6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one has a molecular weight of 368.43 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylphenyl)-5,7-dimethyl-4-phenylchromen-2-one is sourced from PubChem (CID 6540171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).