3-[(1S,2R)-2-hydroxycyclohexyl]phenol

C12H16O2 — CID 54021474

IUPAC3-[(1S,2R)-2-hydroxycyclohexyl]phenol
SMILESOc1cccc([C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C12H16O2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h3-5,8,11-14H,1-2,6-7H2/t11-,12+/m0/s1
InChIKeyKZFKNEPEVTXXRG-NWDGAFQWSA-N
MW192.26 g/mol
LogP2.41
Rot. Bonds1

About 3-[(1S,2R)-2-hydroxycyclohexyl]phenol

3-[(1S,2R)-2-hydroxycyclohexyl]phenol (PubChem CID 54021474) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(1S,2R)-2-hydroxycyclohexyl]phenol.

Molecular Properties

Compound Name3-[(1S,2R)-2-hydroxycyclohexyl]phenol
PubChem CID54021474
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-[(1S,2R)-2-hydroxycyclohexyl]phenol
SMILESOc1cccc([C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C12H16O2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h3-5,8,11-14H,1-2,6-7H2/t11-,12+/m0/s1
InChIKeyKZFKNEPEVTXXRG-NWDGAFQWSA-N
XLogP2.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-cyclobutylphenyl)cycloheptan-1-ol
CID 114605746
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
3-cyclohexylphenol
CID 16036
cis-(1S,2S)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594926
cis-(1R,2R)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594918
(1R)-2-(3-bromophenyl)cyclopentan-1-ol
CID 172622901
3-[(1S,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol
CID 161332431
[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium
CID 58810692
[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride
CID 158588851
2-naphthalen-2-ylcyclohexan-1-ol
CID 2793882
cis-(1R,2R)-2-naphthalen-2-ylcyclohexan-1-ol
CID 68819847

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-hydroxycyclohexyl]phenol?
The IUPAC name of 3-[(1S,2R)-2-hydroxycyclohexyl]phenol (CID 54021474) is 3-[(1S,2R)-2-hydroxycyclohexyl]phenol.
What is the SMILES notation for 3-[(1S,2R)-2-hydroxycyclohexyl]phenol?
The canonical SMILES for 3-[(1S,2R)-2-hydroxycyclohexyl]phenol is Oc1cccc([C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of 3-[(1S,2R)-2-hydroxycyclohexyl]phenol?
The InChIKey is KZFKNEPEVTXXRG-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16O2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h3-5,8,11-14H,1-2,6-7H2/t11-,12+/m0/s1.
What are the key properties of 3-[(1S,2R)-2-hydroxycyclohexyl]phenol?
3-[(1S,2R)-2-hydroxycyclohexyl]phenol has a molecular weight of 192.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-hydroxycyclohexyl]phenol is sourced from PubChem (CID 54021474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).