(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one

C18H16O — CID 6175900

IUPAC(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
SMILESCc1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H16O/c1-15-7-9-17(10-8-15)12-14-18(19)13-11-16-5-3-2-4-6-16/h2-14H,1H3/b13-11+,14-12+
InChIKeyDBDJWKCEIXOUDX-PHEQNACWSA-N
MW248.33 g/mol
LogP4.29
Rot. Bonds4

About (1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one

(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one (PubChem CID 6175900) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is (1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
PubChem CID6175900
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
SMILESCc1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H16O/c1-15-7-9-17(10-8-15)12-14-18(19)13-11-16-5-3-2-4-6-16/h2-14H,1H3/b13-11+,14-12+
InChIKeyDBDJWKCEIXOUDX-PHEQNACWSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
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
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
CID 12748773
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
cesium;carbonic acid;tris(1,5-diphenylpenta-1,4-dien-3-one);hydride;bis(palladium)
CID 174910906
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one (CID 6175900) is (1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one is Cc1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one?
The InChIKey is DBDJWKCEIXOUDX-PHEQNACWSA-N. The full InChI is InChI=1S/C18H16O/c1-15-7-9-17(10-8-15)12-14-18(19)13-11-16-5-3-2-4-6-16/h2-14H,1H3/b13-11+,14-12+.
What are the key properties of (1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one?
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one has a molecular weight of 248.33 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 6175900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).