6-(2-phenylethenyl)pyran-2-one

C13H10O2 — CID 6610142

IUPAC6-(2-phenylethenyl)pyran-2-one
SMILESO=c1cccc(C=Cc2ccccc2)o1
InChIInChI=1S/C13H10O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-10H
InChIKeyPJQXIFKFVCLVQK-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.81
Rot. Bonds2

About 6-(2-phenylethenyl)pyran-2-one

6-(2-phenylethenyl)pyran-2-one (PubChem CID 6610142) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-(2-phenylethenyl)pyran-2-one.

Molecular Properties

Compound Name6-(2-phenylethenyl)pyran-2-one
PubChem CID6610142
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name6-(2-phenylethenyl)pyran-2-one
SMILESO=c1cccc(C=Cc2ccccc2)o1
InChIInChI=1S/C13H10O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-10H
InChIKeyPJQXIFKFVCLVQK-UHFFFAOYSA-N
XLogP2.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethenyl)pyran-2-one?
The IUPAC name of 6-(2-phenylethenyl)pyran-2-one (CID 6610142) is 6-(2-phenylethenyl)pyran-2-one.
What is the SMILES notation for 6-(2-phenylethenyl)pyran-2-one?
The canonical SMILES for 6-(2-phenylethenyl)pyran-2-one is O=c1cccc(C=Cc2ccccc2)o1.
What is the InChIKey of 6-(2-phenylethenyl)pyran-2-one?
The InChIKey is PJQXIFKFVCLVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-10H.
What are the key properties of 6-(2-phenylethenyl)pyran-2-one?
6-(2-phenylethenyl)pyran-2-one has a molecular weight of 198.22 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethenyl)pyran-2-one is sourced from PubChem (CID 6610142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).