1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene

C15H21Cl — CID 63542153

IUPAC1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
SMILESCc1ccccc1CC(Cl)C1CCCCC1
InChIInChI=1S/C15H21Cl/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h5-7,10,13,15H,2-4,8-9,11H2,1H3
InChIKeyVBFGRPHQYYICDN-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.73
Rot. Bonds3

About 1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene

1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene (PubChem CID 63542153) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
PubChem CID63542153
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
SMILESCc1ccccc1CC(Cl)C1CCCCC1
InChIInChI=1S/C15H21Cl/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h5-7,10,13,15H,2-4,8-9,11H2,1H3
InChIKeyVBFGRPHQYYICDN-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[1-chloro-2-(2-methylphenyl)ethyl]cycloheptane
CID 63543365
1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
CID 63015916
1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
(1-chloro-2-phenylethyl)cycloheptane
CID 63542336
1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene
CID 55224451
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 82932886
1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 116772204
1-(2-cyclopropylbutyl)-2-methylbenzene
CID 163903555
3-[[2-(2-chloro-2-cyclohexylethyl)phenoxy]methyl]-1-methylpiperidine
CID 139662063
1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
CID 79074275
2-(2-methylphenyl)-1-(oxan-3-yl)ethanol
CID 63013338

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene?
The IUPAC name of 1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene (CID 63542153) is 1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene?
The canonical SMILES for 1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene is Cc1ccccc1CC(Cl)C1CCCCC1.
What is the InChIKey of 1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene?
The InChIKey is VBFGRPHQYYICDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h5-7,10,13,15H,2-4,8-9,11H2,1H3.
What are the key properties of 1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene?
1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene has a molecular weight of 236.79 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene is sourced from PubChem (CID 63542153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).