4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one

C18H16O3 — CID 70113074

IUPAC4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one
SMILESCc1ccc(C2(c3ccccc3)CC(O)=CC(=O)O2)cc1
InChIInChI=1S/C18H16O3/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)12-16(19)11-17(20)21-18/h2-11,19H,12H2,1H3
InChIKeyCFPXRSNIWYFQJQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.63
Rot. Bonds2

About 4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one

4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one (PubChem CID 70113074) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one
PubChem CID70113074
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one
SMILESCc1ccc(C2(c3ccccc3)CC(O)=CC(=O)O2)cc1
InChIInChI=1S/C18H16O3/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)12-16(19)11-17(20)21-18/h2-11,19H,12H2,1H3
InChIKeyCFPXRSNIWYFQJQ-UHFFFAOYSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nigerapyrone B
CID 53483952
nigerapyrone A
CID 53493727
4,6-diphenyl-2H-pyran-2-one
CID 296685
5-benzylsulfanyl-4-hydroxy-2-pentyl-2-phenyl-3H-pyran-6-one
CID 54684568
5-benzylsulfanyl-4-hydroxy-2-phenyl-2-propyl-3H-pyran-6-one
CID 54688985
5-benzylsulfanyl-2-butyl-4-hydroxy-2-phenyl-3H-pyran-6-one
CID 54688987
4-hydroxy-2-pentyl-5-phenethylsulfanyl-2-phenyl-3H-pyran-6-one
CID 54688988
5-benzylsulfanyl-2-hexyl-4-hydroxy-2-phenyl-3H-pyran-6-one
CID 54688989
2-hexyl-4-hydroxy-5-phenethylsulfanyl-2-phenyl-3H-pyran-6-one
CID 54688990
5-benzylsulfanyl-4-hydroxy-2-isobutyl-2-phenyl-3H-pyran-6-one
CID 54688991
5-benzylsulfanyl-4-hydroxy-2-isopentyl-2-phenyl-3H-pyran-6-one
CID 54688993
4-hydroxy-2-isopentyl-5-phenethylsulfanyl-2-phenyl-3H-pyran-6-one
CID 54688994

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one?
The IUPAC name of 4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one (CID 70113074) is 4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one?
The canonical SMILES for 4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one is Cc1ccc(C2(c3ccccc3)CC(O)=CC(=O)O2)cc1.
What is the InChIKey of 4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one?
The InChIKey is CFPXRSNIWYFQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)12-16(19)11-17(20)21-18/h2-11,19H,12H2,1H3.
What are the key properties of 4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one?
4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one has a molecular weight of 280.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one is sourced from PubChem (CID 70113074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).