(Z)-4-(2-methylphenyl)pent-3-en-2-one

C12H14O — CID 67605542

IUPAC(Z)-4-(2-methylphenyl)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)c1ccccc1C
InChIInChI=1S/C12H14O/c1-9-6-4-5-7-12(9)10(2)8-11(3)13/h4-8H,1-3H3/b10-8-
InChIKeyTYJNIJPRMMVFHU-NTMALXAHSA-N
MW174.24 g/mol
LogP2.99
Rot. Bonds2

About (Z)-4-(2-methylphenyl)pent-3-en-2-one

(Z)-4-(2-methylphenyl)pent-3-en-2-one (PubChem CID 67605542) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (Z)-4-(2-methylphenyl)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(2-methylphenyl)pent-3-en-2-one
PubChem CID67605542
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(Z)-4-(2-methylphenyl)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)c1ccccc1C
InChIInChI=1S/C12H14O/c1-9-6-4-5-7-12(9)10(2)8-11(3)13/h4-8H,1-3H3/b10-8-
InChIKeyTYJNIJPRMMVFHU-NTMALXAHSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-(2-methylphenyl)pent-3-en-2-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

1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-methyl-2-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]benzene
CID 163229113
ethane;1-(2-methylphenyl)ethanone
CID 91374073
4-phenylpent-3-en-2-one
CID 594380
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
ethane;4-phenylpent-3-en-2-one
CID 123324566
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
2-methylbenzoic acid;propan-2-one;1,2-xylene
CID 68779004
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-methylphenyl)pent-3-en-2-one?
The IUPAC name of (Z)-4-(2-methylphenyl)pent-3-en-2-one (CID 67605542) is (Z)-4-(2-methylphenyl)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(2-methylphenyl)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(2-methylphenyl)pent-3-en-2-one is CC(=O)/C=C(/C)c1ccccc1C.
What is the InChIKey of (Z)-4-(2-methylphenyl)pent-3-en-2-one?
The InChIKey is TYJNIJPRMMVFHU-NTMALXAHSA-N. The full InChI is InChI=1S/C12H14O/c1-9-6-4-5-7-12(9)10(2)8-11(3)13/h4-8H,1-3H3/b10-8-.
What are the key properties of (Z)-4-(2-methylphenyl)pent-3-en-2-one?
(Z)-4-(2-methylphenyl)pent-3-en-2-one has a molecular weight of 174.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-methylphenyl)pent-3-en-2-one is sourced from PubChem (CID 67605542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).