3-(4-methylphenyl)-6-phenylchromen-2-one

C22H16O2 — CID 89166486

IUPAC3-(4-methylphenyl)-6-phenylchromen-2-one
SMILESCc1ccc(-c2cc3cc(-c4ccccc4)ccc3oc2=O)cc1
InChIInChI=1S/C22H16O2/c1-15-7-9-17(10-8-15)20-14-19-13-18(16-5-3-2-4-6-16)11-12-21(19)24-22(20)23/h2-14H,1H3
InChIKeyHHEXNDWWFJRFKW-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.44
Rot. Bonds2

About 3-(4-methylphenyl)-6-phenylchromen-2-one

3-(4-methylphenyl)-6-phenylchromen-2-one (PubChem CID 89166486) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-phenylchromen-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-phenylchromen-2-one
PubChem CID89166486
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name3-(4-methylphenyl)-6-phenylchromen-2-one
SMILESCc1ccc(-c2cc3cc(-c4ccccc4)ccc3oc2=O)cc1
InChIInChI=1S/C22H16O2/c1-15-7-9-17(10-8-15)20-14-19-13-18(16-5-3-2-4-6-16)11-12-21(19)24-22(20)23/h2-14H,1H3
InChIKeyHHEXNDWWFJRFKW-UHFFFAOYSA-N
XLogP5.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088
6-methyl-3-(3-methylphenyl)chromen-2-one
CID 56594232
3-phenylchromen-2-one;hydrochloride
CID 141206894
3-iodo-6-phenylchromen-2-one
CID 71734439
4-methyl-N-[3-(4-methylphenyl)-2-oxochromen-6-yl]-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 177149610
3-(4-chlorophenyl)-7-methylchromen-2-one
CID 95049008
7-methyl-3-(4-sulfanylphenyl)chromen-2-one
CID 90146912
4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide
CID 3893067
6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one
CID 146412107
8-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 73355033
2-methyl-7-phenylxanthen-9-one
CID 123326805
2-[4-[3,5-bis(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]-8-methylbenzo[f]chromen-3-one
CID 142252710

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-phenylchromen-2-one?
The IUPAC name of 3-(4-methylphenyl)-6-phenylchromen-2-one (CID 89166486) is 3-(4-methylphenyl)-6-phenylchromen-2-one.
What is the SMILES notation for 3-(4-methylphenyl)-6-phenylchromen-2-one?
The canonical SMILES for 3-(4-methylphenyl)-6-phenylchromen-2-one is Cc1ccc(-c2cc3cc(-c4ccccc4)ccc3oc2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-phenylchromen-2-one?
The InChIKey is HHEXNDWWFJRFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c1-15-7-9-17(10-8-15)20-14-19-13-18(16-5-3-2-4-6-16)11-12-21(19)24-22(20)23/h2-14H,1H3.
What are the key properties of 3-(4-methylphenyl)-6-phenylchromen-2-one?
3-(4-methylphenyl)-6-phenylchromen-2-one has a molecular weight of 312.37 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-phenylchromen-2-one is sourced from PubChem (CID 89166486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).