[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol

C16H20BrF3O — CID 115801665

IUPAC[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol
SMILESCCC1CCCCC1C(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C16H20BrF3O/c1-2-10-5-3-4-6-12(10)15(21)11-7-8-14(17)13(9-11)16(18,19)20/h7-10,12,15,21H,2-6H2,1H3
InChIKeyVKPXXVNYAPSKPM-UHFFFAOYSA-N
MW365.23 g/mol
LogP5.72
Rot. Bonds3

About [4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol

[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol (PubChem CID 115801665) has the molecular formula C16H20BrF3O and a molecular weight of 365.23 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol
PubChem CID115801665
Molecular FormulaC16H20BrF3O
Molecular Weight365.23 g/mol
Exact Mass364.06
IUPAC Name[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol
SMILESCCC1CCCCC1C(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C16H20BrF3O/c1-2-10-5-3-4-6-12(10)15(21)11-7-8-14(17)13(9-11)16(18,19)20/h7-10,12,15,21H,2-6H2,1H3
InChIKeyVKPXXVNYAPSKPM-UHFFFAOYSA-N
XLogP5.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.23
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

p-Bromobenzhydryl alcohol
CID 98221
1-(4-Bromophenyl)-2,2,2-trifluoroethanol
CID 11219024
2-Bromo-alpha-phenylbenzenemethanol
CID 11425518
1-(4-Bromophenyl)-2-phenylethan-1-ol
CID 10858776
(Perfluorobutyl)-4-bromophenylmethanol
CID 46217842
1,3-Butanediol, 1-(p-bromophenyl)-2-methyl-3-trifluoromethyl-4,4,4-trifluoro-
CID 36964
(4-Bromo-3-methylphenyl)methanol
CID 10987288
1-(4-Bromophenyl)-3,3,3-trifluoropropan-1-ol
CID 53534944
2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 58347290
(1S)-1-(4-bromophenyl)-2,2-difluoroethan-1-ol
CID 69269398
1-(4-Bromophenyl)-2,2-difluoroethan-1-ol
CID 15942204
1-(2-Bromophenyl)-2-methylpropan-1-ol
CID 61725787

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol?
The IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol (CID 115801665) is [4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol.
What is the SMILES notation for [4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol?
The canonical SMILES for [4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol is CCC1CCCCC1C(O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of [4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol?
The InChIKey is VKPXXVNYAPSKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrF3O/c1-2-10-5-3-4-6-12(10)15(21)11-7-8-14(17)13(9-11)16(18,19)20/h7-10,12,15,21H,2-6H2,1H3.
What are the key properties of [4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol?
[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol has a molecular weight of 365.23 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol is sourced from PubChem (CID 115801665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).