1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol

C19H30O — CID 107429751

IUPAC1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCc1cc(C)cc(CC2(O)CCCC(CC(C)C)C2)c1
InChIInChI=1S/C19H30O/c1-14(2)8-17-6-5-7-19(20,12-17)13-18-10-15(3)9-16(4)11-18/h9-11,14,17,20H,5-8,12-13H2,1-4H3
InChIKeyKQSSSKFLTZNEHL-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.81
Rot. Bonds4

About 1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol

1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429751) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429751
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCc1cc(C)cc(CC2(O)CCCC(CC(C)C)C2)c1
InChIInChI=1S/C19H30O/c1-14(2)8-17-6-5-7-19(20,12-17)13-18-10-15(3)9-16(4)11-18/h9-11,14,17,20H,5-8,12-13H2,1-4H3
InChIKeyKQSSSKFLTZNEHL-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429768
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429553
1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429783
3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 107429669
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429583
1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429837
1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429597
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430142
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430049
3-[(3,5-dimethylphenyl)methyl]-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171962161

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429751) is 1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol is Cc1cc(C)cc(CC2(O)CCCC(CC(C)C)C2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is KQSSSKFLTZNEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-14(2)8-17-6-5-7-19(20,12-17)13-18-10-15(3)9-16(4)11-18/h9-11,14,17,20H,5-8,12-13H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).