1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol

C16H24O — CID 64746667

IUPAC1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol
SMILESCc1cccc(C2(O)CCC(C)C(C)C2)c1C
InChIInChI=1S/C16H24O/c1-11-8-9-16(17,10-13(11)3)15-7-5-6-12(2)14(15)4/h5-7,11,13,17H,8-10H2,1-4H3
InChIKeyIKVRYLSHPKEJML-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.95
Rot. Bonds1

About 1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol

1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol (PubChem CID 64746667) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol
PubChem CID64746667
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol
SMILESCc1cccc(C2(O)CCC(C)C(C)C2)c1C
InChIInChI=1S/C16H24O/c1-11-8-9-16(17,10-13(11)3)15-7-5-6-12(2)14(15)4/h5-7,11,13,17H,8-10H2,1-4H3
InChIKeyIKVRYLSHPKEJML-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol
CID 64746265
1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406978
3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171958723
2-(2,3-dimethylphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62549374
1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol
CID 106679635
1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol
CID 114053631
1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol
CID 64516207
1-(2-aminoethyl)-4-(2,3-dimethylphenyl)piperidin-4-ol
CID 82296734
3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol
CID 115373730
6-methyl-3-(2-methylphenyl)thian-3-ol
CID 131251159
1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol
CID 114723885
2-[(1R,3S)-1-hydroxy-3-methylcyclopentyl]benzonitrile
CID 125425746

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol (CID 64746667) is 1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol is Cc1cccc(C2(O)CCC(C)C(C)C2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol?
The InChIKey is IKVRYLSHPKEJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11-8-9-16(17,10-13(11)3)15-7-5-6-12(2)14(15)4/h5-7,11,13,17H,8-10H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol?
1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64746667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).