1-(4-methyl-3-prop-2-enylphenyl)ethanone

C12H14O — CID 143718324

IUPAC1-(4-methyl-3-prop-2-enylphenyl)ethanone
SMILESC=CCc1cc(C(C)=O)ccc1C
InChIInChI=1S/C12H14O/c1-4-5-11-8-12(10(3)13)7-6-9(11)2/h4,6-8H,1,5H2,2-3H3
InChIKeyIEPWSXNBOFDQBS-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.93
Rot. Bonds3

About 1-(4-methyl-3-prop-2-enylphenyl)ethanone

1-(4-methyl-3-prop-2-enylphenyl)ethanone (PubChem CID 143718324) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(4-methyl-3-prop-2-enylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-3-prop-2-enylphenyl)ethanone
PubChem CID143718324
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-(4-methyl-3-prop-2-enylphenyl)ethanone
SMILESC=CCc1cc(C(C)=O)ccc1C
InChIInChI=1S/C12H14O/c1-4-5-11-8-12(10(3)13)7-6-9(11)2/h4,6-8H,1,5H2,2-3H3
InChIKeyIEPWSXNBOFDQBS-UHFFFAOYSA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-3-prop-2-enylphenyl)ethanone 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-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
CID 54517444
1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone
CID 54849524
1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone
CID 54849540
4-methyl-3-prop-2-enylbenzenesulfonic acid
CID 52911067
4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid
CID 139984782
4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
1-(4-methyl-3-pent-3-ynylphenyl)ethanone
CID 145350521
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone
CID 143976180
1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene
CID 147152105

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-prop-2-enylphenyl)ethanone?
The IUPAC name of 1-(4-methyl-3-prop-2-enylphenyl)ethanone (CID 143718324) is 1-(4-methyl-3-prop-2-enylphenyl)ethanone.
What is the SMILES notation for 1-(4-methyl-3-prop-2-enylphenyl)ethanone?
The canonical SMILES for 1-(4-methyl-3-prop-2-enylphenyl)ethanone is C=CCc1cc(C(C)=O)ccc1C.
What is the InChIKey of 1-(4-methyl-3-prop-2-enylphenyl)ethanone?
The InChIKey is IEPWSXNBOFDQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-4-5-11-8-12(10(3)13)7-6-9(11)2/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 1-(4-methyl-3-prop-2-enylphenyl)ethanone?
1-(4-methyl-3-prop-2-enylphenyl)ethanone has a molecular weight of 174.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-prop-2-enylphenyl)ethanone is sourced from PubChem (CID 143718324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).