2-(hydroxymethyl)-6-phenylpyran-4-one

C12H10O3 — CID 10584240

IUPAC2-(hydroxymethyl)-6-phenylpyran-4-one
SMILESO=c1cc(CO)oc(-c2ccccc2)c1
InChIInChI=1S/C12H10O3/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-7,13H,8H2
InChIKeyAECCTQOQPCLSRL-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.80
Rot. Bonds2

About 2-(hydroxymethyl)-6-phenylpyran-4-one

2-(hydroxymethyl)-6-phenylpyran-4-one (PubChem CID 10584240) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-phenylpyran-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-phenylpyran-4-one
PubChem CID10584240
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name2-(hydroxymethyl)-6-phenylpyran-4-one
SMILESO=c1cc(CO)oc(-c2ccccc2)c1
InChIInChI=1S/C12H10O3/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-7,13H,8H2
InChIKeyAECCTQOQPCLSRL-UHFFFAOYSA-N
XLogP1.80
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-phenylpyran-4-one?
The IUPAC name of 2-(hydroxymethyl)-6-phenylpyran-4-one (CID 10584240) is 2-(hydroxymethyl)-6-phenylpyran-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-6-phenylpyran-4-one?
The canonical SMILES for 2-(hydroxymethyl)-6-phenylpyran-4-one is O=c1cc(CO)oc(-c2ccccc2)c1.
What is the InChIKey of 2-(hydroxymethyl)-6-phenylpyran-4-one?
The InChIKey is AECCTQOQPCLSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-7,13H,8H2.
What are the key properties of 2-(hydroxymethyl)-6-phenylpyran-4-one?
2-(hydroxymethyl)-6-phenylpyran-4-one has a molecular weight of 202.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-phenylpyran-4-one is sourced from PubChem (CID 10584240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).