6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one

C14H11ClO3 — CID 10264719

IUPAC6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one
SMILESCOc1cc(/C=C/c2ccc(Cl)cc2)oc(=O)c1
InChIInChI=1S/C14H11ClO3/c1-17-13-8-12(18-14(16)9-13)7-4-10-2-5-11(15)6-3-10/h2-9H,1H3/b7-4+
InChIKeyFGOHOIXEXYQROJ-QPJJXVBHSA-N
MW262.69 g/mol
LogP3.47
Rot. Bonds3

About 6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one

6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one (PubChem CID 10264719) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one
PubChem CID10264719
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one
SMILESCOc1cc(/C=C/c2ccc(Cl)cc2)oc(=O)c1
InChIInChI=1S/C14H11ClO3/c1-17-13-8-12(18-14(16)9-13)7-4-10-2-5-11(15)6-3-10/h2-9H,1H3/b7-4+
InChIKeyFGOHOIXEXYQROJ-QPJJXVBHSA-N
XLogP3.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(E)-2-(4-chlorophenyl)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

Related Compounds

Desmethoxyyangonin
CID 5273621
Ethyl (E)-3-(4-Chlorophenyl)acrylate
CID 5373977
Asnipyrone B
CID 56679815
Methyl p-chlorocinnamate
CID 5314314
Nigerapyrone F
CID 53493848
Nigerapyrone G
CID 53493849
Nigerapyrone H
CID 53493850
2H-Pyran-2-one, 6-[2-E-(4-tolyl)ethenyl]-4-methoxy-
CID 5377028
Ethyl 2,6-dichlorocinnamate
CID 6010430
tert-butyl (2E)-3-(4-chlorophenyl)prop-2-enoate
CID 11791266
3-[(2E)-3-(4-Chlorophenyl)prop-2-enoyl]-4-hydroxy-6-methyl-2H-pyran-2-one
CID 135424626
4-methoxy-6-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyran-2-one
CID 5849520

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one?
The IUPAC name of 6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one (CID 10264719) is 6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one is COc1cc(/C=C/c2ccc(Cl)cc2)oc(=O)c1.
What is the InChIKey of 6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one?
The InChIKey is FGOHOIXEXYQROJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-17-13-8-12(18-14(16)9-13)7-4-10-2-5-11(15)6-3-10/h2-9H,1H3/b7-4+.
What are the key properties of 6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one?
6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one has a molecular weight of 262.69 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxypyran-2-one is sourced from PubChem (CID 10264719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).