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

C16H20BrF3O — CID 115808455

IUPAC[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2ccc(Br)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H20BrF3O/c1-2-10-4-3-5-11(8-10)15(21)12-6-7-14(17)13(9-12)16(18,19)20/h6-7,9-11,15,21H,2-5,8H2,1H3
InChIKeyKAYGAZQDTGJFCF-UHFFFAOYSA-N
MW365.23 g/mol
LogP5.72
Rot. Bonds3

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

[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol (PubChem CID 115808455) has the molecular formula C16H20BrF3O and a molecular weight of 365.23 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
PubChem CID115808455
Molecular FormulaC16H20BrF3O
Molecular Weight365.23 g/mol
Exact Mass364.06
IUPAC Name[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2ccc(Br)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H20BrF3O/c1-2-10-4-3-5-11(8-10)15(21)12-6-7-14(17)13(9-12)16(18,19)20/h6-7,9-11,15,21H,2-5,8H2,1H3
InChIKeyKAYGAZQDTGJFCF-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

[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
CID 115840545
(3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288500
[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol
CID 115801665
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol
CID 105104394
1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
CID 115787663
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115789572
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyclopentyl-N-methylethanamine
CID 115847452
(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
CID 115808567
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 115808444
(3-ethylcyclopentyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128518

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol?
The IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol (CID 115808455) is [4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol.
What is the SMILES notation for [4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol?
The canonical SMILES for [4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol is CCC1CCCC(C(O)c2ccc(Br)c(C(F)(F)F)c2)C1.
What is the InChIKey of [4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol?
The InChIKey is KAYGAZQDTGJFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrF3O/c1-2-10-4-3-5-11(8-10)15(21)12-6-7-14(17)13(9-12)16(18,19)20/h6-7,9-11,15,21H,2-5,8H2,1H3.
What are the key properties of [4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol?
[4-bromo-3-(trifluoromethyl)phenyl]-(3-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]-(3-ethylcyclohexyl)methanol is sourced from PubChem (CID 115808455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).