cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol

C7H13ClO — CID 93341086

IUPACcis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
SMILESC[C@]1(O)CCCC[C@@H]1Cl
InChIInChI=1S/C7H13ClO/c1-7(9)5-3-2-4-6(7)8/h6,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyLXJVQOYQFQDGCJ-BQBZGAKWSA-N
MW148.63 g/mol
LogP1.92
Rot. Bonds

About cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol

cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol (PubChem CID 93341086) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
PubChem CID93341086
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Namecis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
SMILESC[C@]1(O)CCCC[C@@H]1Cl
InChIInChI=1S/C7H13ClO/c1-7(9)5-3-2-4-6(7)8/h6,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyLXJVQOYQFQDGCJ-BQBZGAKWSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol 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

trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol
CID 131071734
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
cis-(1S,2S)-2-bromo-1-methylcyclohexan-1-ol
CID 129404972
cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol
CID 138485251
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride
CID 69200571
(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
CID 155887959
2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 3028098
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol
CID 155141541
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
cis-(1S,2S)-2-chloro-1-hex-1-ynylcyclohexan-1-ol
CID 134889581

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol (CID 93341086) is cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol is C[C@]1(O)CCCC[C@@H]1Cl.
What is the InChIKey of cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol?
The InChIKey is LXJVQOYQFQDGCJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13ClO/c1-7(9)5-3-2-4-6(7)8/h6,9H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol?
cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol has a molecular weight of 148.63 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol is sourced from PubChem (CID 93341086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).