2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one

C13H12O2 — CID 5317826

IUPAC2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(/C=C/c2ccccc2)O1
InChIInChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9+
InChIKeyRLGHFVLWYYVMQZ-MDZDMXLPSA-N
MW200.24 g/mol
LogP2.57
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one

2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one (PubChem CID 5317826) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
PubChem CID5317826
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(/C=C/c2ccccc2)O1
InChIInChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9+
InChIKeyRLGHFVLWYYVMQZ-MDZDMXLPSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one (CID 5317826) is 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one is O=C1C=CCC(/C=C/c2ccccc2)O1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The InChIKey is RLGHFVLWYYVMQZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9+.
What are the key properties of 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one?
2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one has a molecular weight of 200.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 5317826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).