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

C12H10O3 — CID 54690178

IUPAC4-hydroxy-6-(3-methylphenyl)pyran-2-one
SMILESCc1cccc(-c2cc(O)cc(=O)o2)c1
InChIInChI=1S/C12H10O3/c1-8-3-2-4-9(5-8)11-6-10(13)7-12(14)15-11/h2-7,13H,1H3
InChIKeyCJDPBYVPQWGCFG-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.32
Rot. Bonds1

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

4-hydroxy-6-(3-methylphenyl)pyran-2-one (PubChem CID 54690178) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-hydroxy-6-(3-methylphenyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(3-methylphenyl)pyran-2-one
PubChem CID54690178
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-hydroxy-6-(3-methylphenyl)pyran-2-one
SMILESCc1cccc(-c2cc(O)cc(=O)o2)c1
InChIInChI=1S/C12H10O3/c1-8-3-2-4-9(5-8)11-6-10(13)7-12(14)15-11/h2-7,13H,1H3
InChIKeyCJDPBYVPQWGCFG-UHFFFAOYSA-N
XLogP2.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(3-methylphenyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(3-methylphenyl)pyran-2-one (CID 54690178) is 4-hydroxy-6-(3-methylphenyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(3-methylphenyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(3-methylphenyl)pyran-2-one is Cc1cccc(-c2cc(O)cc(=O)o2)c1.
What is the InChIKey of 4-hydroxy-6-(3-methylphenyl)pyran-2-one?
The InChIKey is CJDPBYVPQWGCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-8-3-2-4-9(5-8)11-6-10(13)7-12(14)15-11/h2-7,13H,1H3.
What are the key properties of 4-hydroxy-6-(3-methylphenyl)pyran-2-one?
4-hydroxy-6-(3-methylphenyl)pyran-2-one has a molecular weight of 202.21 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(3-methylphenyl)pyran-2-one is sourced from PubChem (CID 54690178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).