[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene

C15H21Cl — CID 106828895

IUPAC[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene
SMILESCC1(C(Cl)Cc2ccccc2)CCCCC1
InChIInChI=1S/C15H21Cl/c1-15(10-6-3-7-11-15)14(16)12-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3
InChIKeyRLYNESYPKZIJDL-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.81
Rot. Bonds3

About [2-chloro-2-(1-methylcyclohexyl)ethyl]benzene

[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene (PubChem CID 106828895) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is [2-chloro-2-(1-methylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene
PubChem CID106828895
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene
SMILESCC1(C(Cl)Cc2ccccc2)CCCCC1
InChIInChI=1S/C15H21Cl/c1-15(10-6-3-7-11-15)14(16)12-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3
InChIKeyRLYNESYPKZIJDL-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
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-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
CID 130553721
3-(1-methylcyclohexyl)pent-4-enylbenzene
CID 15445454
1-(1-methylcyclohexyl)ethylbenzene
CID 139768950
1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
2-phenyl-1-(1-phenylcyclopentyl)ethanol
CID 63080283
2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827634
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072
1-(1-methylcyclopentyl)-4-phenylbutan-1-amine
CID 115849307
2-(2-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106828868
2-(1-methylcyclopropyl)but-3-enylbenzene
CID 142432672
3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane
CID 125489630

Frequently Asked Questions

What is the IUPAC name of [2-chloro-2-(1-methylcyclohexyl)ethyl]benzene?
The IUPAC name of [2-chloro-2-(1-methylcyclohexyl)ethyl]benzene (CID 106828895) is [2-chloro-2-(1-methylcyclohexyl)ethyl]benzene.
What is the SMILES notation for [2-chloro-2-(1-methylcyclohexyl)ethyl]benzene?
The canonical SMILES for [2-chloro-2-(1-methylcyclohexyl)ethyl]benzene is CC1(C(Cl)Cc2ccccc2)CCCCC1.
What is the InChIKey of [2-chloro-2-(1-methylcyclohexyl)ethyl]benzene?
The InChIKey is RLYNESYPKZIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-15(10-6-3-7-11-15)14(16)12-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3.
What are the key properties of [2-chloro-2-(1-methylcyclohexyl)ethyl]benzene?
[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene has a molecular weight of 236.79 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-2-(1-methylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 106828895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).