(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one

C17H12Cl2O — CID 5378584

IUPAC(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
InChIKeyKKVCZNHIJHTDFP-YDWXAUTNSA-N
MW303.19 g/mol
LogP5.29
Rot. Bonds4

About (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one (PubChem CID 5378584) has the molecular formula C17H12Cl2O and a molecular weight of 303.19 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one
PubChem CID5378584
Molecular FormulaC17H12Cl2O
Molecular Weight303.19 g/mol
Exact Mass302.03
IUPAC Name(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
InChIKeyKKVCZNHIJHTDFP-YDWXAUTNSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-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 (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one (CID 5378584) is (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one is O=C(/C=C/c1ccc(Cl)cc1)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one?
The InChIKey is KKVCZNHIJHTDFP-YDWXAUTNSA-N. The full InChI is InChI=1S/C17H12Cl2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+.
What are the key properties of (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one has a molecular weight of 303.19 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 5378584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).