trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol

C13H17FO — CID 26595178

IUPACtrans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
SMILESCc1cc([C@H]2CCCC[C@@H]2O)ccc1F
InChIInChI=1S/C13H17FO/c1-9-8-10(6-7-12(9)14)11-4-2-3-5-13(11)15/h6-8,11,13,15H,2-5H2,1H3/t11-,13+/m1/s1
InChIKeyNGMFHSGOHAVGAM-YPMHNXCESA-N
MW208.28 g/mol
LogP3.15
Rot. Bonds1

About trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol

trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol (PubChem CID 26595178) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
PubChem CID26595178
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Nametrans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
SMILESCc1cc([C@H]2CCCC[C@@H]2O)ccc1F
InChIInChI=1S/C13H17FO/c1-9-8-10(6-7-12(9)14)11-4-2-3-5-13(11)15/h6-8,11,13,15H,2-5H2,1H3/t11-,13+/m1/s1
InChIKeyNGMFHSGOHAVGAM-YPMHNXCESA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-4-methylphenyl)cyclopentan-1-ol
CID 2759027
2-(3,4-dimethylphenyl)cyclopentan-1-ol
CID 2758610
2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
CID 62801613
cis-(1R,2R)-2-(4-isocyano-3-methylphenyl)cyclohexan-1-ol
CID 147527605
trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
CID 94503733
2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 107289990
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695
2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol
CID 81416761
1-[2-(4-fluoro-3-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 81034558
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine
CID 130900633
cis-(1R,2R)-2-(4-methylphenyl)cyclopentan-1-ol
CID 26594915

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol (CID 26595178) is trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol is Cc1cc([C@H]2CCCC[C@@H]2O)ccc1F.
What is the InChIKey of trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol?
The InChIKey is NGMFHSGOHAVGAM-YPMHNXCESA-N. The full InChI is InChI=1S/C13H17FO/c1-9-8-10(6-7-12(9)14)11-4-2-3-5-13(11)15/h6-8,11,13,15H,2-5H2,1H3/t11-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol?
trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 3.15, 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-fluoro-3-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 26595178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).