(3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one

C19H15ClO3 — CID 702247

IUPAC(3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one
SMILESCOc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc1C
InChIInChI=1S/C19H15ClO3/c1-12-9-13(3-8-17(12)22-2)10-15-11-18(23-19(15)21)14-4-6-16(20)7-5-14/h3-11H,1-2H3/b15-10-
InChIKeyZVOZFLOVBZOBNR-GDNBJRDFSA-N
MW326.78 g/mol
LogP4.64
Rot. Bonds3

About (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one

(3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one (PubChem CID 702247) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one
PubChem CID702247
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Name(3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one
SMILESCOc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc1C
InChIInChI=1S/C19H15ClO3/c1-12-9-13(3-8-17(12)22-2)10-15-11-18(23-19(15)21)14-4-6-16(20)7-5-14/h3-11H,1-2H3/b15-10-
InChIKeyZVOZFLOVBZOBNR-GDNBJRDFSA-N
XLogP4.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-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 (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one?
The IUPAC name of (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one (CID 702247) is (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one.
What is the SMILES notation for (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one?
The canonical SMILES for (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one is COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc1C.
What is the InChIKey of (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one?
The InChIKey is ZVOZFLOVBZOBNR-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-12-9-13(3-8-17(12)22-2)10-15-11-18(23-19(15)21)14-4-6-16(20)7-5-14/h3-11H,1-2H3/b15-10-.
What are the key properties of (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one?
(3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one has a molecular weight of 326.78 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-chlorophenyl)-3-[(4-methoxy-3-methylphenyl)methylidene]furan-2-one is sourced from PubChem (CID 702247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).