4-(5-chloro-2-methylphenyl)cyclohexan-1-ol

C13H17ClO — CID 161121388

IUPAC4-(5-chloro-2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(Cl)cc1C1CCC(O)CC1
InChIInChI=1S/C13H17ClO/c1-9-2-5-11(14)8-13(9)10-3-6-12(15)7-4-10/h2,5,8,10,12,15H,3-4,6-7H2,1H3
InChIKeyKKTZITIDDQQNKL-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.67
Rot. Bonds1

About 4-(5-chloro-2-methylphenyl)cyclohexan-1-ol

4-(5-chloro-2-methylphenyl)cyclohexan-1-ol (PubChem CID 161121388) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)cyclohexan-1-ol
PubChem CID161121388
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name4-(5-chloro-2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(Cl)cc1C1CCC(O)CC1
InChIInChI=1S/C13H17ClO/c1-9-2-5-11(14)8-13(9)10-3-6-12(15)7-4-10/h2,5,8,10,12,15H,3-4,6-7H2,1H3
InChIKeyKKTZITIDDQQNKL-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-bromo-2-methylphenyl)cyclohexan-1-ol
CID 116963289
4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol
CID 116963215
4-(4-chloro-2-methylphenyl)cyclohexan-1-amine
CID 134447858
ethyl (1R,5R)-3-[4-(5-chloro-2-methylphenyl)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58772346
4-(2,5-difluorophenyl)cyclohexan-1-ol
CID 116963227
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
4-chloro-2-cyclopropylbenzonitrile
CID 90240370
3-(2,6-difluoro-3-methylphenyl)cyclopentan-1-ol
CID 82822176
methyl 2-(4-chloro-2-cyclopropylphenyl)acetate
CID 174254257
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
3-(5-chloro-2-methylphenyl)-5-iminocyclohexan-1-one
CID 57305621
3-(2,5-dichlorophenyl)cycloheptan-1-ol
CID 64513926

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(5-chloro-2-methylphenyl)cyclohexan-1-ol (CID 161121388) is 4-(5-chloro-2-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)cyclohexan-1-ol is Cc1ccc(Cl)cc1C1CCC(O)CC1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)cyclohexan-1-ol?
The InChIKey is KKTZITIDDQQNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-9-2-5-11(14)8-13(9)10-3-6-12(15)7-4-10/h2,5,8,10,12,15H,3-4,6-7H2,1H3.
What are the key properties of 4-(5-chloro-2-methylphenyl)cyclohexan-1-ol?
4-(5-chloro-2-methylphenyl)cyclohexan-1-ol has a molecular weight of 224.73 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 161121388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).