4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one

C14H12O3 — CID 5273621

IUPAC4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2ccccc2)oc(=O)c1
InChIInChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKeyDKKJNZYHGRUXBS-BQYQJAHWSA-N
MW228.25 g/mol
LogP2.82
Rot. Bonds3

About 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one

4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one (PubChem CID 5273621) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one
PubChem CID5273621
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2ccccc2)oc(=O)c1
InChIInChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKeyDKKJNZYHGRUXBS-BQYQJAHWSA-N
XLogP2.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-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 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one (CID 5273621) is 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one is COc1cc(/C=C/c2ccccc2)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one?
The InChIKey is DKKJNZYHGRUXBS-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+.
What are the key properties of 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one?
4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one has a molecular weight of 228.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one is sourced from PubChem (CID 5273621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).