1-(1-methylcyclohexyl)ethylbenzene

C15H22 — CID 139768950

IUPAC1-(1-methylcyclohexyl)ethylbenzene
SMILESCC(c1ccccc1)C1(C)CCCCC1
InChIInChI=1S/C15H22/c1-13(14-9-5-3-6-10-14)15(2)11-7-4-8-12-15/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
InChIKeyNQAMEBTWRMXLDZ-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.76
Rot. Bonds2

About 1-(1-methylcyclohexyl)ethylbenzene

1-(1-methylcyclohexyl)ethylbenzene (PubChem CID 139768950) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)ethylbenzene.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)ethylbenzene
PubChem CID139768950
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-(1-methylcyclohexyl)ethylbenzene
SMILESCC(c1ccccc1)C1(C)CCCCC1
InChIInChI=1S/C15H22/c1-13(14-9-5-3-6-10-14)15(2)11-7-4-8-12-15/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
InChIKeyNQAMEBTWRMXLDZ-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(1-methylcyclohexyl)ethylbenzene 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

[3-[1-(1-methylcyclohexyl)ethyl]phenyl]-pyridin-2-ylmethanone
CID 140585174
1-(1-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 138987875
[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene
CID 106828895
(1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol
CID 68614036
6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine
CID 140585044
2-acetyl-2-(1-phenylethyl)cyclohexan-1-one
CID 135038981
1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one
CID 172837508
1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol
CID 79138486
2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one
CID 15350128
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
[1,2-dimethyl-2-(1-phenylethyl)cyclopropyl]methanol
CID 78427689
1-(2-phenylpropyl)cyclopentan-1-ol
CID 173409519

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)ethylbenzene?
The IUPAC name of 1-(1-methylcyclohexyl)ethylbenzene (CID 139768950) is 1-(1-methylcyclohexyl)ethylbenzene.
What is the SMILES notation for 1-(1-methylcyclohexyl)ethylbenzene?
The canonical SMILES for 1-(1-methylcyclohexyl)ethylbenzene is CC(c1ccccc1)C1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)ethylbenzene?
The InChIKey is NQAMEBTWRMXLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-13(14-9-5-3-6-10-14)15(2)11-7-4-8-12-15/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-(1-methylcyclohexyl)ethylbenzene?
1-(1-methylcyclohexyl)ethylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)ethylbenzene is sourced from PubChem (CID 139768950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).