(1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol

C18H28O — CID 7054193

IUPAC(1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@H](C)[C@@](O)(CCc2ccccc2)C1
InChIInChI=1S/C18H28O/c1-14(2)17-10-9-15(3)18(19,13-17)12-11-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3/t15-,17+,18+/m0/s1
InChIKeyOLFOYXTWBOZBQG-CGTJXYLNSA-N
MW260.42 g/mol
LogP4.44
Rot. Bonds4

About (1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol

(1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol (PubChem CID 7054193) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol
PubChem CID7054193
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@H](C)[C@@](O)(CCc2ccccc2)C1
InChIInChI=1S/C18H28O/c1-14(2)17-10-9-15(3)18(19,13-17)12-11-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3/t15-,17+,18+/m0/s1
InChIKeyOLFOYXTWBOZBQG-CGTJXYLNSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol
CID 124768360
5-propan-2-yl-2-tritylcyclohexane-1,1,2-triol
CID 151940176
2-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 79332898
trans-(1S,2S)-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-1-(2-phenylethyl)cyclopropan-1-ol
CID 101047901
2-methyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 79332321
[2-methyl-1-(3-phenylpropyl)cyclopropyl]methanol
CID 20672612
2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 55194345
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
(2S)-4-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 142848800
2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 114334467
trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol
CID 15151944
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol (CID 7054193) is (1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@H](C)[C@@](O)(CCc2ccccc2)C1.
What is the InChIKey of (1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol?
The InChIKey is OLFOYXTWBOZBQG-CGTJXYLNSA-N. The full InChI is InChI=1S/C18H28O/c1-14(2)17-10-9-15(3)18(19,13-17)12-11-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3/t15-,17+,18+/m0/s1.
What are the key properties of (1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol?
(1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 7054193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).