1-chloro-2-(cyclohexylmethyl)benzene

C13H17Cl — CID 54348768

IUPAC1-chloro-2-(cyclohexylmethyl)benzene
SMILESClc1ccccc1CC1CCCCC1
InChIInChI=1S/C13H17Cl/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyYFTASXMPVJIYOH-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.46
Rot. Bonds2

About 1-chloro-2-(cyclohexylmethyl)benzene

1-chloro-2-(cyclohexylmethyl)benzene (PubChem CID 54348768) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-chloro-2-(cyclohexylmethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(cyclohexylmethyl)benzene
PubChem CID54348768
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-chloro-2-(cyclohexylmethyl)benzene
SMILESClc1ccccc1CC1CCCCC1
InChIInChI=1S/C13H17Cl/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyYFTASXMPVJIYOH-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-(cyclohexylmethyl)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

1-chloro-2-(2-cyclohexylethyl)benzene
CID 57280256
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene
CID 154637847
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(cyclopentylmethyl)aniline
CID 15634615
2-[(2-chlorophenyl)methyl]azetidine
CID 84658268
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
3-(2-chlorophenyl)-6-(cyclohexylmethyl)-1,2,4,5-tetrazine
CID 70578729
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(cyclohexylmethyl)benzene?
The IUPAC name of 1-chloro-2-(cyclohexylmethyl)benzene (CID 54348768) is 1-chloro-2-(cyclohexylmethyl)benzene.
What is the SMILES notation for 1-chloro-2-(cyclohexylmethyl)benzene?
The canonical SMILES for 1-chloro-2-(cyclohexylmethyl)benzene is Clc1ccccc1CC1CCCCC1.
What is the InChIKey of 1-chloro-2-(cyclohexylmethyl)benzene?
The InChIKey is YFTASXMPVJIYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of 1-chloro-2-(cyclohexylmethyl)benzene?
1-chloro-2-(cyclohexylmethyl)benzene has a molecular weight of 208.73 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(cyclohexylmethyl)benzene is sourced from PubChem (CID 54348768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).