(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one

C18H16O — CID 92526505

IUPAC(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
SMILESCc1ccc(C(=O)/C=C/C=C\c2ccccc2)cc1
InChIInChI=1S/C18H16O/c1-15-11-13-17(14-12-15)18(19)10-6-5-9-16-7-3-2-4-8-16/h2-14H,1H3/b9-5-,10-6+
InChIKeyRZQJWYNOZJISEX-VTBWALSUSA-N
MW248.33 g/mol
LogP4.45
Rot. Bonds4

About (2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one

(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one (PubChem CID 92526505) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is (2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
PubChem CID92526505
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
SMILESCc1ccc(C(=O)/C=C/C=C\c2ccccc2)cc1
InChIInChI=1S/C18H16O/c1-15-11-13-17(14-12-15)18(19)10-6-5-9-16-7-3-2-4-8-16/h2-14H,1H3/b9-5-,10-6+
InChIKeyRZQJWYNOZJISEX-VTBWALSUSA-N
XLogP4.45
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 ≤ 54.45
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'}

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Related Compounds

(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one
CID 171377751
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(2E,4E)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 1236722
(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 51661966
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
(2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one
CID 97462404
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one (CID 92526505) is (2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one is Cc1ccc(C(=O)/C=C/C=C\c2ccccc2)cc1.
What is the InChIKey of (2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one?
The InChIKey is RZQJWYNOZJISEX-VTBWALSUSA-N. The full InChI is InChI=1S/C18H16O/c1-15-11-13-17(14-12-15)18(19)10-6-5-9-16-7-3-2-4-8-16/h2-14H,1H3/b9-5-,10-6+.
What are the key properties of (2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one?
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one has a molecular weight of 248.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 92526505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).