(4E,6E)-1,7-diphenylhepta-4,6-dien-3-one

C19H18O — CID 5317598

IUPAC(4E,6E)-1,7-diphenylhepta-4,6-dien-3-one
SMILESO=C(/C=C/C=C/c1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+
InChIKeyOWMJDOUOHDOUFG-FNCQTZNRSA-N
MW262.35 g/mol
LogP4.46
Rot. Bonds6

About (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one

(4E,6E)-1,7-diphenylhepta-4,6-dien-3-one (PubChem CID 5317598) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one.

Molecular Properties

Compound Name(4E,6E)-1,7-diphenylhepta-4,6-dien-3-one
PubChem CID5317598
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name(4E,6E)-1,7-diphenylhepta-4,6-dien-3-one
SMILESO=C(/C=C/C=C/c1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+
InChIKeyOWMJDOUOHDOUFG-FNCQTZNRSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,6E)-1,7-diphenylhepta-4,6-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 (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one?
The IUPAC name of (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one (CID 5317598) is (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one.
What is the SMILES notation for (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one?
The canonical SMILES for (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one is O=C(/C=C/C=C/c1ccccc1)CCc1ccccc1.
What is the InChIKey of (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one?
The InChIKey is OWMJDOUOHDOUFG-FNCQTZNRSA-N. The full InChI is InChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+.
What are the key properties of (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one?
(4E,6E)-1,7-diphenylhepta-4,6-dien-3-one has a molecular weight of 262.35 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one is sourced from PubChem (CID 5317598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).