(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one

C17H16O — CID 92908631

IUPAC(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C\c2ccccc2)c(C)c1
InChIInChI=1S/C17H16O/c1-13-8-10-16(14(2)12-13)17(18)11-9-15-6-4-3-5-7-15/h3-12H,1-2H3/b11-9-
InChIKeyUYTPHSQRUDNHPA-LUAWRHEFSA-N
MW236.31 g/mol
LogP4.20
Rot. Bonds3

About (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one

(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one (PubChem CID 92908631) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
PubChem CID92908631
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C\c2ccccc2)c(C)c1
InChIInChI=1S/C17H16O/c1-13-8-10-16(14(2)12-13)17(18)11-9-15-6-4-3-5-7-15/h3-12H,1-2H3/b11-9-
InChIKeyUYTPHSQRUDNHPA-LUAWRHEFSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one 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

(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 7973152
1-(4,5-dichloro-2-methylphenyl)-3-phenylprop-2-en-1-one
CID 54190912
(E)-1-(2-methylphenyl)-3-[3-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 58692940
(E)-1-(5-chloro-2-methylphenyl)-3-phenylprop-2-en-1-one
CID 146005953
(E)-1-(2-hydroxy-3,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 7575127
(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 100958822
4-[(E)-3-(2-hydroxy-3,5-dimethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 7212866
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one
CID 161243705
1-(3-chloro-4-methylphenyl)-3-phenylprop-2-en-1-one
CID 162367037

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one (CID 92908631) is (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one is Cc1ccc(C(=O)/C=C\c2ccccc2)c(C)c1.
What is the InChIKey of (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is UYTPHSQRUDNHPA-LUAWRHEFSA-N. The full InChI is InChI=1S/C17H16O/c1-13-8-10-16(14(2)12-13)17(18)11-9-15-6-4-3-5-7-15/h3-12H,1-2H3/b11-9-.
What are the key properties of (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one?
(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 236.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 92908631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).