6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one

C13H14O3 — CID 102263079

IUPAC6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one
SMILESCc1ccc(C2OC(C)(O)C=CC2=O)cc1
InChIInChI=1S/C13H14O3/c1-9-3-5-10(6-4-9)12-11(14)7-8-13(2,15)16-12/h3-8,12,15H,1-2H3
InChIKeyANPFVTWRYJILSK-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.90
Rot. Bonds1

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

6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one (PubChem CID 102263079) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one.

Molecular Properties

Compound Name6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one
PubChem CID102263079
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one
SMILESCc1ccc(C2OC(C)(O)C=CC2=O)cc1
InChIInChI=1S/C13H14O3/c1-9-3-5-10(6-4-9)12-11(14)7-8-13(2,15)16-12/h3-8,12,15H,1-2H3
InChIKeyANPFVTWRYJILSK-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one 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

dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate
CID 177414225
[(2S,6R)-6-(4-methylphenyl)-5-oxo-2H-pyran-2-yl]methyl acetate
CID 101131663
2,2-dimethyl-4-(4-methylphenyl)oxetane
CID 12731994
1-[5-methyl-2-(4-methylphenyl)-1,3-dioxan-5-yl]ethanone
CID 13103206
4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one
CID 10997780
(3aR,6S,6aS)-6-hydroxy-6-methyl-3-(4-methylphenyl)-5,6a-dihydro-3aH-cyclopenta[d][1,2]oxazol-4-one
CID 12037567
(5S)-3,3-dimethyl-5-(4-methylphenyl)oxolan-2-one
CID 155934344
[(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol
CID 14006260
4-hydroxy-4-methyl-3a,6a-dihydropentalen-1-one
CID 72814704
1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
CID 144562671
(4E)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]oxolane-2,3-dione
CID 6224267
2-(4-methylphenyl)-2H-1,3-oxazol-5-one
CID 70370917

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one?
The IUPAC name of 6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one (CID 102263079) is 6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one.
What is the SMILES notation for 6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one?
The canonical SMILES for 6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one is Cc1ccc(C2OC(C)(O)C=CC2=O)cc1.
What is the InChIKey of 6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one?
The InChIKey is ANPFVTWRYJILSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-9-3-5-10(6-4-9)12-11(14)7-8-13(2,15)16-12/h3-8,12,15H,1-2H3.
What are the key properties of 6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one?
6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one has a molecular weight of 218.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-2-(4-methylphenyl)pyran-3-one is sourced from PubChem (CID 102263079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).