trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol

C13H18O2 — CID 101349551

IUPACtrans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
SMILESC[C@@]1(O)CCCC[C@@]1(O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-12(14)9-5-6-10-13(12,15)11-7-3-2-4-8-11/h2-4,7-8,14-15H,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChIKeyUEMYJWKDIRTXAP-CHWSQXEVSA-N
MW206.29 g/mol
LogP2.20
Rot. Bonds1

About trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol

trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol (PubChem CID 101349551) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol.

Molecular Properties

Compound Nametrans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
PubChem CID101349551
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Nametrans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
SMILESC[C@@]1(O)CCCC[C@@]1(O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-12(14)9-5-6-10-13(12,15)11-7-3-2-4-8-11/h2-4,7-8,14-15H,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChIKeyUEMYJWKDIRTXAP-CHWSQXEVSA-N
XLogP2.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
2-(dimethylamino)-2-methyl-1-phenylcyclohexan-1-ol
CID 66606780
2,2-dimethyl-1-(4-phenylphenyl)cyclohexan-1-ol
CID 79841974
copper;1-phenylcyclohexan-1-ol
CID 174727157
(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol
CID 10987365
ethane;1-phenylcyclohexan-1-ol
CID 144640846
methane;(1-methylcyclopentyl)benzene
CID 143499824
(2R,3R)-1,2-dimethyl-2,3-diphenylpyrrolidin-3-ol
CID 125492615
2-phenylpiperidin-2-ol
CID 173102945
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401
cis-(1R,2S)-2-(benzenesulfonyl)-1,2-dimethylcyclohexan-1-ol
CID 899860
1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol
CID 134894646

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol?
The IUPAC name of trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol (CID 101349551) is trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol.
What is the SMILES notation for trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol?
The canonical SMILES for trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol is C[C@@]1(O)CCCC[C@@]1(O)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol?
The InChIKey is UEMYJWKDIRTXAP-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18O2/c1-12(14)9-5-6-10-13(12,15)11-7-3-2-4-8-11/h2-4,7-8,14-15H,5-6,9-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol?
trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol has a molecular weight of 206.29 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol is sourced from PubChem (CID 101349551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).