(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone

C25H22O2 — CID 160723303

IUPAC(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
SMILESCC(=O)c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C17H14O.C8H8O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-7(9)8-5-3-2-4-6-8/h1-14H;2-6H,1H3/b13-11+,14-12+;
InChIKeyRTJNCRZXGSMVRK-JZOPPWQGSA-N
MW354.45 g/mol
LogP5.87
Rot. Bonds5

About (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone (PubChem CID 160723303) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone.

Molecular Properties

Compound Name(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
PubChem CID160723303
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
SMILESCC(=O)c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C17H14O.C8H8O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-7(9)8-5-3-2-4-6-8/h1-14H;2-6H,1H3/b13-11+,14-12+;
InChIKeyRTJNCRZXGSMVRK-JZOPPWQGSA-N
XLogP5.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone 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

(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(1E,4E)-1,5-bis(4-benzoylphenyl)penta-1,4-dien-3-one
CID 101166440
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
5-methyl-1-phenylhexa-1,4-dien-3-one
CID 73164511

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone?
The IUPAC name of (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone (CID 160723303) is (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone.
What is the SMILES notation for (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone?
The canonical SMILES for (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone is CC(=O)c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.
What is the InChIKey of (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone?
The InChIKey is RTJNCRZXGSMVRK-JZOPPWQGSA-N. The full InChI is InChI=1S/C17H14O.C8H8O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-7(9)8-5-3-2-4-6-8/h1-14H;2-6H,1H3/b13-11+,14-12+;.
What are the key properties of (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone?
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone has a molecular weight of 354.45 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone is sourced from PubChem (CID 160723303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).