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

C16H24O — CID 54958001

IUPAC1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
SMILESCc1ccc(C)c(CC2(O)CCC(C)CC2)c1
InChIInChI=1S/C16H24O/c1-12-6-8-16(17,9-7-12)11-15-10-13(2)4-5-14(15)3/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyXQWOVROTXHPSLK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.79
Rot. Bonds2

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

1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol (PubChem CID 54958001) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
PubChem CID54958001
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
SMILESCc1ccc(C)c(CC2(O)CCC(C)CC2)c1
InChIInChI=1S/C16H24O/c1-12-6-8-16(17,9-7-12)11-15-10-13(2)4-5-14(15)3/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyXQWOVROTXHPSLK-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
Benzeneethanol, alpha,alpha,4-trimethyl-
CID 88710
Hydroxychlorobactene
CID 10099075
1-Benzylcyclohexan-1-ol
CID 74753
2-Hydroxyethylmesitylene
CID 81389
1-(o-Tolyl)cyclohexan-1-ol
CID 81405
1-(M-Tolyl)cyclohexanol
CID 248761
2,3-Dimethyl-2-hydroxy-3-phenylpropane
CID 18663
2-Naphthaleneethanol, 5,6,7,8-tetrahydro-beta,5,5,8,8-pentamethyl-
CID 174302
2,5-Dimethylphenethyl alcohol
CID 247479
[4-Tert-butyl-2-(4-methylphenyl)-6-propan-2-ylphenyl]methanol
CID 57393988

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol (CID 54958001) is 1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol is Cc1ccc(C)c(CC2(O)CCC(C)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is XQWOVROTXHPSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12-6-8-16(17,9-7-12)11-15-10-13(2)4-5-14(15)3/h4-5,10,12,17H,6-9,11H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol?
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 54958001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).