4-hydroxy-6-phenylpyran-2-one

C11H8O3 — CID 54695630

IUPAC4-hydroxy-6-phenylpyran-2-one
SMILESO=c1cc(O)cc(-c2ccccc2)o1
InChIInChI=1S/C11H8O3/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-7,12H
InChIKeyUWCSWBPHENSQNW-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.01
Rot. Bonds1

About 4-hydroxy-6-phenylpyran-2-one

4-hydroxy-6-phenylpyran-2-one (PubChem CID 54695630) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-hydroxy-6-phenylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-phenylpyran-2-one
PubChem CID54695630
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name4-hydroxy-6-phenylpyran-2-one
SMILESO=c1cc(O)cc(-c2ccccc2)o1
InChIInChI=1S/C11H8O3/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-7,12H
InChIKeyUWCSWBPHENSQNW-UHFFFAOYSA-N
XLogP2.01
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8785
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CID 62341
Benzyl methacrylate
CID 17236
Benzyl crotonate, (E)-
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2-Butenoic acid, phenylmethyl ester
CID 97885
Bisnoryangonin
CID 54680478
Benzyl 2,3-dimethylcrotonate
CID 61402
2-Propenoic acid, 3-phenyl-, phenylmethyl ester
CID 7652
Benzyl acrylate
CID 75617

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-phenylpyran-2-one?
The IUPAC name of 4-hydroxy-6-phenylpyran-2-one (CID 54695630) is 4-hydroxy-6-phenylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-phenylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-phenylpyran-2-one is O=c1cc(O)cc(-c2ccccc2)o1.
What is the InChIKey of 4-hydroxy-6-phenylpyran-2-one?
The InChIKey is UWCSWBPHENSQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-7,12H.
What are the key properties of 4-hydroxy-6-phenylpyran-2-one?
4-hydroxy-6-phenylpyran-2-one has a molecular weight of 188.18 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-phenylpyran-2-one is sourced from PubChem (CID 54695630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).