(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

C16H13ClO2 — CID 5337609

IUPAC(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+
InChIKeyKGKFNDADSPFRCJ-NYYWCZLTSA-N
MW272.73 g/mol
LogP4.24
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 5337609) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID5337609
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+
InChIKeyKGKFNDADSPFRCJ-NYYWCZLTSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-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 (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 5337609) is (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is KGKFNDADSPFRCJ-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 272.73 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5337609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).