6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one

C16H16O5 — CID 5458436

IUPAC6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one
SMILESCOc1cc(/C=C/c2ccc(OC)c(OC)c2)oc(=O)c1
InChIInChI=1S/C16H16O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-10H,1-3H3/b6-4+
InChIKeyGBJRDULCMRSYSL-GQCTYLIASA-N
MW288.30 g/mol
LogP2.84
Rot. Bonds5

About 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one

6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one (PubChem CID 5458436) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one
PubChem CID5458436
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one
SMILESCOc1cc(/C=C/c2ccc(OC)c(OC)c2)oc(=O)c1
InChIInChI=1S/C16H16O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-10H,1-3H3/b6-4+
InChIKeyGBJRDULCMRSYSL-GQCTYLIASA-N
XLogP2.84
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-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 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one?
The IUPAC name of 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one (CID 5458436) is 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one is COc1cc(/C=C/c2ccc(OC)c(OC)c2)oc(=O)c1.
What is the InChIKey of 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one?
The InChIKey is GBJRDULCMRSYSL-GQCTYLIASA-N. The full InChI is InChI=1S/C16H16O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-10H,1-3H3/b6-4+.
What are the key properties of 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one?
6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one has a molecular weight of 288.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one is sourced from PubChem (CID 5458436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).