(2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol

C16H21F3O — CID 105091901

IUPAC(2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCc1cccc(C(O)C2CCCCC2C(F)(F)F)c1C
InChIInChI=1S/C16H21F3O/c1-10-6-5-8-12(11(10)2)15(20)13-7-3-4-9-14(13)16(17,18)19/h5-6,8,13-15,20H,3-4,7,9H2,1-2H3
InChIKeyIPUFRMBRQMUZBA-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.71
Rot. Bonds2

About (2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol

(2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105091901) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105091901
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCc1cccc(C(O)C2CCCCC2C(F)(F)F)c1C
InChIInChI=1S/C16H21F3O/c1-10-6-5-8-12(11(10)2)15(20)13-7-3-4-9-14(13)16(17,18)19/h5-6,8,13-15,20H,3-4,7,9H2,1-2H3
InChIKeyIPUFRMBRQMUZBA-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
6-bicyclo[3.1.0]hexanyl-(2,3-dimethylphenyl)methanol
CID 115791560
(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424313
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
(3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105081334
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
CID 171261814
(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
CID 105091922
(5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105113662
2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 65138645
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105140713
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol (CID 105091901) is (2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol is Cc1cccc(C(O)C2CCCCC2C(F)(F)F)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is IPUFRMBRQMUZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O/c1-10-6-5-8-12(11(10)2)15(20)13-7-3-4-9-14(13)16(17,18)19/h5-6,8,13-15,20H,3-4,7,9H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
(2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 286.34 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105091901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).