(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol

C16H21F3O — CID 105091992

IUPAC(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCc1cccc(C(O)C2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C16H21F3O/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-5,12-13,15,20H,6-9H2,1-2H3
InChIKeyJFKJIEJPCGVLAC-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.71
Rot. Bonds2

About (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol

(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105091992) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105091992
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCc1cccc(C(O)C2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C16H21F3O/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-5,12-13,15,20H,6-9H2,1-2H3
InChIKeyJFKJIEJPCGVLAC-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]methanamine
CID 105140713
(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424313
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 107516176
(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105093185
(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
CID 105091922
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904
(2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105091901
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol
CID 65403189
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105094933
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105093800

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105091992) is (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol is Cc1cccc(C(O)C2CCC(C(F)(F)F)CC2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is JFKJIEJPCGVLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-5,12-13,15,20H,6-9H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(2,3-dimethylphenyl)-[4-(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)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105091992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).