1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol

C17H26O2 — CID 103452363

IUPAC1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
SMILESCc1cc(C)cc(CC(O)C2(O)CCC(C)CC2)c1
InChIInChI=1S/C17H26O2/c1-12-4-6-17(19,7-5-12)16(18)11-15-9-13(2)8-14(3)10-15/h8-10,12,16,18-19H,4-7,11H2,1-3H3
InChIKeyYQDUKVHELWRZEB-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.15
Rot. Bonds3

About 1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol

1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol (PubChem CID 103452363) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
PubChem CID103452363
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
SMILESCc1cc(C)cc(CC(O)C2(O)CCC(C)CC2)c1
InChIInChI=1S/C17H26O2/c1-12-4-6-17(19,7-5-12)16(18)11-15-9-13(2)8-14(3)10-15/h8-10,12,16,18-19H,4-7,11H2,1-3H3
InChIKeyYQDUKVHELWRZEB-UHFFFAOYSA-N
XLogP3.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromothiophen-2-yl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452373
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352
1-[1-hydroxy-2-(1-propylimidazol-2-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452429
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452391
1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 103452282
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-(1-hydroxypentyl)-4-methylcyclohexan-1-ol
CID 103452288
1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452462
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452318
1-cyclopentyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 62607509

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol (CID 103452363) is 1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol is Cc1cc(C)cc(CC(O)C2(O)CCC(C)CC2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol?
The InChIKey is YQDUKVHELWRZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12-4-6-17(19,7-5-12)16(18)11-15-9-13(2)8-14(3)10-15/h8-10,12,16,18-19H,4-7,11H2,1-3H3.
What are the key properties of 1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol?
1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).