(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol

C14H20O — CID 124672757

IUPAC(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@H](C)[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C14H20O/c1-11-8-9-12(2)14(15,10-11)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12+,14-/m1/s1
InChIKeyKFDKEILKLSKJTO-MBNYWOFBSA-N
MW204.31 g/mol
LogP3.33
Rot. Bonds1

About (1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol

(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol (PubChem CID 124672757) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
PubChem CID124672757
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@H](C)[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C14H20O/c1-11-8-9-12(2)14(15,10-11)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12+,14-/m1/s1
InChIKeyKFDKEILKLSKJTO-MBNYWOFBSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64755424
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
1-(3,5-difluorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64753777
2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol
CID 64755422
1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64755423
(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
CID 124508976
(2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol
CID 100815418
2,5-dimethyl-1-(1,2-thiazol-4-yl)cyclohexan-1-ol
CID 164648580
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol
CID 107287447

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol (CID 124672757) is (1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol is C[C@@H]1CC[C@H](C)[C@@](O)(c2ccccc2)C1.
What is the InChIKey of (1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol?
The InChIKey is KFDKEILKLSKJTO-MBNYWOFBSA-N. The full InChI is InChI=1S/C14H20O/c1-11-8-9-12(2)14(15,10-11)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12+,14-/m1/s1.
What are the key properties of (1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol?
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 124672757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).