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

C19H18O — CID 51661966

IUPAC(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
SMILESCC(=C/c1ccccc1)/C=C/C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H18O/c1-15-8-11-18(12-9-15)19(20)13-10-16(2)14-17-6-4-3-5-7-17/h3-14H,1-2H3/b13-10+,16-14-
InChIKeyODWQOKIGAHWYFY-WSGDEHQQSA-N
MW262.35 g/mol
LogP4.84
Rot. Bonds4

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

(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one (PubChem CID 51661966) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is (2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
PubChem CID51661966
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
SMILESCC(=C/c1ccccc1)/C=C/C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H18O/c1-15-8-11-18(12-9-15)19(20)13-10-16(2)14-17-6-4-3-5-7-17/h3-14H,1-2H3/b13-10+,16-14-
InChIKeyODWQOKIGAHWYFY-WSGDEHQQSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.84
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

(2E,4E)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 1236722
(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 92526505
N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide
CID 56583223
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412
1-(2-chloro-4-pyridinyl)-4-methyl-5-phenylpenta-2,4-dien-1-one
CID 126813052
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide
CID 73389334
[3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6267120

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one (CID 51661966) is (2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one is CC(=C/c1ccccc1)/C=C/C(=O)c1ccc(C)cc1.
What is the InChIKey of (2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one?
The InChIKey is ODWQOKIGAHWYFY-WSGDEHQQSA-N. The full InChI is InChI=1S/C19H18O/c1-15-8-11-18(12-9-15)19(20)13-10-16(2)14-17-6-4-3-5-7-17/h3-14H,1-2H3/b13-10+,16-14-.
What are the key properties of (2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one?
(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one has a molecular weight of 262.35 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 51661966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).