6-phenylpyran-2-one

C11H8O2 — CID 5162569

IUPAC6-phenylpyran-2-one
SMILESO=c1cccc(-c2ccccc2)o1
InChIInChI=1S/C11H8O2/c12-11-8-4-7-10(13-11)9-5-2-1-3-6-9/h1-8H
InChIKeyPJLHJVCEKHYUHV-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.31
Rot. Bonds1

About 6-phenylpyran-2-one

6-phenylpyran-2-one (PubChem CID 5162569) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 6-phenylpyran-2-one.

Molecular Properties

Compound Name6-phenylpyran-2-one
PubChem CID5162569
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name6-phenylpyran-2-one
SMILESO=c1cccc(-c2ccccc2)o1
InChIInChI=1S/C11H8O2/c12-11-8-4-7-10(13-11)9-5-2-1-3-6-9/h1-8H
InChIKeyPJLHJVCEKHYUHV-UHFFFAOYSA-N
XLogP2.31
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl acetate
CID 8785
Benzyl Cinnamate
CID 5273469
(+)-Kavain
CID 5281565
Benzyl butyrate
CID 7650
Benzyl tiglate
CID 250096
Phenethyl Cinnamate
CID 5369459
Dihydrokavain
CID 10220256
Desmethoxyyangonin
CID 5273621
1-Phenylethyl propionate
CID 8432
Benzyl isobutyrate
CID 7646
Benzyl propionate
CID 31219
1-Phenylethyl Acetate
CID 62341

Frequently Asked Questions

What is the IUPAC name of 6-phenylpyran-2-one?
The IUPAC name of 6-phenylpyran-2-one (CID 5162569) is 6-phenylpyran-2-one.
What is the SMILES notation for 6-phenylpyran-2-one?
The canonical SMILES for 6-phenylpyran-2-one is O=c1cccc(-c2ccccc2)o1.
What is the InChIKey of 6-phenylpyran-2-one?
The InChIKey is PJLHJVCEKHYUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c12-11-8-4-7-10(13-11)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 6-phenylpyran-2-one?
6-phenylpyran-2-one has a molecular weight of 172.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylpyran-2-one is sourced from PubChem (CID 5162569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).