1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene

C14H18 — CID 23561398

IUPAC1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene
SMILESCc1ccc(C2C=CC(C)CC2)cc1
InChIInChI=1S/C14H18/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-5,7-9,12,14H,6,10H2,1-2H3
InChIKeyZZGLAHSZHSGCHS-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.06
Rot. Bonds1

About 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene

1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene (PubChem CID 23561398) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene
PubChem CID23561398
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene
SMILESCc1ccc(C2C=CC(C)CC2)cc1
InChIInChI=1S/C14H18/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-5,7-9,12,14H,6,10H2,1-2H3
InChIKeyZZGLAHSZHSGCHS-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene 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

(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
CID 155107146
1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene
CID 143310420
2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene
CID 144536878
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylphenyl)cyclohex-2-en-1-yl]phenyl]benzene
CID 139334431
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
1-cyclohexa-2,4-dien-1-yl-4-methylbenzene
CID 13139021
(3S,4R)-3,4-dimethyl-7-phenylcycloheptene
CID 161261867
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
4-(4-methylphenyl)-3,4-dihydropyridine
CID 89391273

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene?
The IUPAC name of 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene (CID 23561398) is 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene.
What is the SMILES notation for 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene?
The canonical SMILES for 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene is Cc1ccc(C2C=CC(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene?
The InChIKey is ZZGLAHSZHSGCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-5,7-9,12,14H,6,10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene?
1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene has a molecular weight of 186.30 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 23561398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).