trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol

C13H18O — CID 36688903

IUPACtrans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
SMILESCc1cccc([C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C13H18O/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14/h4-6,9,12-14H,2-3,7-8H2,1H3/t12-,13+/m1/s1
InChIKeyPZCGHHIUHVDILA-OLZOCXBDSA-N
MW190.29 g/mol
LogP3.01
Rot. Bonds1

About trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol

trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol (PubChem CID 36688903) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
PubChem CID36688903
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nametrans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
SMILESCc1cccc([C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C13H18O/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14/h4-6,9,12-14H,2-3,7-8H2,1H3/t12-,13+/m1/s1
InChIKeyPZCGHHIUHVDILA-OLZOCXBDSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 54021474
2-(3-cyclobutylphenyl)cycloheptan-1-ol
CID 114605746
1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
2-(3,5-dimethylphenyl)cyclopentan-1-ol
CID 2758611
cis-(1S,2S)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594926
(1R)-2-(3-bromophenyl)cyclopentan-1-ol
CID 172622901
cis-(1R,2R)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594918
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
cis-(1R,2R)-2-(4-methylphenyl)cyclopentan-1-ol
CID 26594915
2-(3,4-dimethylphenyl)cyclopentan-1-ol
CID 2758610
2-[2-(3-methylphenyl)cycloheptyl]acetonitrile
CID 82242576

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol (CID 36688903) is trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol is Cc1cccc([C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol?
The InChIKey is PZCGHHIUHVDILA-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H18O/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14/h4-6,9,12-14H,2-3,7-8H2,1H3/t12-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol?
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.01, 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-(3-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 36688903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).