(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol

C18H28O — CID 65424313

IUPAC(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
SMILESCc1cccc(C(O)C2CCC(C(C)C)CC2)c1C
InChIInChI=1S/C18H28O/c1-12(2)15-8-10-16(11-9-15)18(19)17-7-5-6-13(3)14(17)4/h5-7,12,15-16,18-19H,8-11H2,1-4H3
InChIKeyJGQVGBHTGYAQJR-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.80
Rot. Bonds3

About (2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol

(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol (PubChem CID 65424313) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
PubChem CID65424313
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
SMILESCc1cccc(C(O)C2CCC(C(C)C)CC2)c1C
InChIInChI=1S/C18H28O/c1-12(2)15-8-10-16(11-9-15)18(19)17-7-5-6-13(3)14(17)4/h5-7,12,15-16,18-19H,8-11H2,1-4H3
InChIKeyJGQVGBHTGYAQJR-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
CID 105091922
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
6-bicyclo[3.1.0]hexanyl-(2,3-dimethylphenyl)methanol
CID 115791560
(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 66273752
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol
CID 65403189
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811
(1S,5S)-1,5-dicyclopropyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304291
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol?
The IUPAC name of (2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol (CID 65424313) is (2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol?
The canonical SMILES for (2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol is Cc1cccc(C(O)C2CCC(C(C)C)CC2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol?
The InChIKey is JGQVGBHTGYAQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-12(2)15-8-10-16(11-9-15)18(19)17-7-5-6-13(3)14(17)4/h5-7,12,15-16,18-19H,8-11H2,1-4H3.
What are the key properties of (2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol?
(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol has a molecular weight of 260.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol is sourced from PubChem (CID 65424313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).