trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol

C12H15ClO — CID 94503733

IUPACtrans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h5-8,11-12,14H,1-4H2/t11-,12+/m1/s1
InChIKeyIJTCXAWGMMJYLJ-NEPJUHHUSA-N
MW210.70 g/mol
LogP3.36
Rot. Bonds1

About trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol

trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol (PubChem CID 94503733) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
PubChem CID94503733
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Nametrans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h5-8,11-12,14H,1-4H2/t11-,12+/m1/s1
InChIKeyIJTCXAWGMMJYLJ-NEPJUHHUSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
4-[(1S,2R)-2-hydroxycyclopentyl]phenol
CID 163763811
(1R)-2-(4-bromophenyl)cyclopentan-1-ol
CID 142068486
cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol
CID 26595121
trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 26595178
cis-(1R,2R)-2-(4-chlorophenyl)cyclopentan-1-amine
CID 11095547
4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 18653092
2-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 21319672
2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 21082583
2-(furan-3-yl)cycloheptan-1-ol
CID 63950202
2-naphthalen-2-ylcyclohexan-1-ol
CID 2793882
cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol
CID 158450943

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol (CID 94503733) is trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol?
The InChIKey is IJTCXAWGMMJYLJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H15ClO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h5-8,11-12,14H,1-4H2/t11-,12+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol?
trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol has a molecular weight of 210.70 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 94503733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).