(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

C16H24O — CID 12860618

IUPAC(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
SMILESC[C@H]1CC[C@H](C(C)(C)c2ccccc2)[C@@H](O)C1
InChIInChI=1S/C16H24O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15-/m0/s1
InChIKeyWTQIZFCJMGWUGZ-QEJZJMRPSA-N
MW232.37 g/mol
LogP3.76
Rot. Bonds2

About (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol (PubChem CID 12860618) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
PubChem CID12860618
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
SMILESC[C@H]1CC[C@H](C(C)(C)c2ccccc2)[C@@H](O)C1
InChIInChI=1S/C16H24O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15-/m0/s1
InChIKeyWTQIZFCJMGWUGZ-QEJZJMRPSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The IUPAC name of (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol (CID 12860618) is (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol is C[C@H]1CC[C@H](C(C)(C)c2ccccc2)[C@@H](O)C1.
What is the InChIKey of (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The InChIKey is WTQIZFCJMGWUGZ-QEJZJMRPSA-N. The full InChI is InChI=1S/C16H24O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15-/m0/s1.
What are the key properties of (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 12860618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).