(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol

C17H26O2 — CID 134769173

IUPAC(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCOc1ccc(C(C)(C)[C@H]2CC[C@H](C)C[C@@H]2O)cc1
InChIInChI=1S/C17H26O2/c1-12-5-10-15(16(18)11-12)17(2,3)13-6-8-14(19-4)9-7-13/h6-9,12,15-16,18H,5,10-11H2,1-4H3/t12-,15-,16-/m0/s1
InChIKeyTYFKWJZQXPHTGK-RCBQFDQVSA-N
MW262.39 g/mol
LogP3.77
Rot. Bonds3

About (1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol

(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 134769173) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID134769173
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCOc1ccc(C(C)(C)[C@H]2CC[C@H](C)C[C@@H]2O)cc1
InChIInChI=1S/C17H26O2/c1-12-5-10-15(16(18)11-12)17(2,3)13-6-8-14(19-4)9-7-13/h6-9,12,15-16,18H,5,10-11H2,1-4H3/t12-,15-,16-/m0/s1
InChIKeyTYFKWJZQXPHTGK-RCBQFDQVSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 64767491
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 64767577
2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 64766100
2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 104544388
[(1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexyl] (1S,6S,8R)-7,7,8-trimethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate
CID 102315566
(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114606456
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-1-(4-methoxyphenyl)azepane-2-carboxylate
CID 122404202
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-(4-methoxyphenyl)propanoate
CID 102076289

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of (1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol (CID 134769173) is (1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for (1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol is COc1ccc(C(C)(C)[C@H]2CC[C@H](C)C[C@@H]2O)cc1.
What is the InChIKey of (1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is TYFKWJZQXPHTGK-RCBQFDQVSA-N. The full InChI is InChI=1S/C17H26O2/c1-12-5-10-15(16(18)11-12)17(2,3)13-6-8-14(19-4)9-7-13/h6-9,12,15-16,18H,5,10-11H2,1-4H3/t12-,15-,16-/m0/s1.
What are the key properties of (1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 134769173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).