1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol

C16H14BrF3O — CID 63411022

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C16H14BrF3O/c1-10-3-2-4-11(7-10)8-15(21)13-6-5-12(17)9-14(13)16(18,19)20/h2-7,9,15,21H,8H2,1H3
InChIKeyYJSMGXLVILXKPQ-UHFFFAOYSA-N
MW359.19 g/mol
LogP5.05
Rot. Bonds3

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol

1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol (PubChem CID 63411022) has the molecular formula C16H14BrF3O and a molecular weight of 359.19 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol
PubChem CID63411022
Molecular FormulaC16H14BrF3O
Molecular Weight359.19 g/mol
Exact Mass358.02
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C16H14BrF3O/c1-10-3-2-4-11(7-10)8-15(21)13-6-5-12(17)9-14(13)16(18,19)20/h2-7,9,15,21H,8H2,1H3
InChIKeyYJSMGXLVILXKPQ-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.19
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
CID 83172736
4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
CID 107333503
4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene
CID 107333507
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 103396109
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol
CID 114028154
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
CID 62389072
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 62691371
ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108846
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62801984
1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol (CID 63411022) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)c2ccc(Br)cc2C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol?
The InChIKey is YJSMGXLVILXKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3O/c1-10-3-2-4-11(7-10)8-15(21)13-6-5-12(17)9-14(13)16(18,19)20/h2-7,9,15,21H,8H2,1H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol?
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol has a molecular weight of 359.19 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 63411022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).