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

C16H26O2 — CID 174940939

IUPAC(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](O)C1.O
InChIInChI=1S/C16H24O.H2O/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;1H2/t12-,14-,15-;/m1./s1
InChIKeyXKQZKWNXMMVOKA-RVXAEUMZSA-N
MW250.38 g/mol
LogP2.94
Rot. Bonds2

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

(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate (PubChem CID 174940939) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
PubChem CID174940939
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](O)C1.O
InChIInChI=1S/C16H24O.H2O/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;1H2/t12-,14-,15-;/m1./s1
InChIKeyXKQZKWNXMMVOKA-RVXAEUMZSA-N
XLogP2.94
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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

Launch Full Analysis

Related Compounds

(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
CID 134964067
2-(2,4-dimethylcyclohexyl)propan-2-ylbenzene
CID 134857032
2-[(1S,2S,4R)-2-bromo-4-methylcyclohexyl]propan-2-ylbenzene
CID 46737239
(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 134769173
2-(2,5-dimethylcyclohexyl)propan-2-ylbenzene
CID 154060563
2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114606456
ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene
CID 155710062
(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde
CID 10514464
2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 64767577

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate?
The IUPAC name of (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate (CID 174940939) is (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate is C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](O)C1.O.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate?
The InChIKey is XKQZKWNXMMVOKA-RVXAEUMZSA-N. The full InChI is InChI=1S/C16H24O.H2O/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;1H2/t12-,14-,15-;/m1./s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate?
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate has a molecular weight of 250.38 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate is sourced from PubChem (CID 174940939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).