2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol

C9H17ClO — CID 11240783

IUPAC2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol
SMILESC[C@]1(Cl)CCCC[C@@H]1CCO
InChIInChI=1S/C9H17ClO/c1-9(10)6-3-2-4-8(9)5-7-11/h8,11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyRCTFCKBLTMCSOR-BDAKNGLRSA-N
MW176.69 g/mol
LogP2.56
Rot. Bonds2

About 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol

2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol (PubChem CID 11240783) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol
PubChem CID11240783
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol
SMILESC[C@]1(Cl)CCCC[C@@H]1CCO
InChIInChI=1S/C9H17ClO/c1-9(10)6-3-2-4-8(9)5-7-11/h8,11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyRCTFCKBLTMCSOR-BDAKNGLRSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol 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

2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
CID 142091721
2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol
CID 150682925
3-(2,2-dimethoxycyclohexyl)propan-1-ol
CID 10352822
[2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride
CID 53396844
2-(2-bromo-2-dodecylcyclohexyl)ethanol
CID 122612047
2-(2-bromo-2-hexadecylcyclohexyl)ethanol
CID 122610718
[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride
CID 17039395
2-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017392
1-chloro-1-methyl-2-(trichloromethyl)cyclohexane
CID 10586741
(5S,8S,9S,10S,11S,13R,14S,17R)-17-(2-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-ol
CID 66995398
ethane;(17R)-17-(2-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
CID 145403388
1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol
CID 86129641

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol?
The IUPAC name of 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol (CID 11240783) is 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol.
What is the SMILES notation for 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol?
The canonical SMILES for 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol is C[C@]1(Cl)CCCC[C@@H]1CCO.
What is the InChIKey of 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol?
The InChIKey is RCTFCKBLTMCSOR-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17ClO/c1-9(10)6-3-2-4-8(9)5-7-11/h8,11H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol?
2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol has a molecular weight of 176.69 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol is sourced from PubChem (CID 11240783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).