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

C16H14BrF3O — CID 81476241

IUPAC1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccc(C(O)Cc2ccc(C(F)(F)F)cc2)cc1Br
InChIInChI=1S/C16H14BrF3O/c1-10-2-5-12(9-14(10)17)15(21)8-11-3-6-13(7-4-11)16(18,19)20/h2-7,9,15,21H,8H2,1H3
InChIKeyQQOFDKPWYWNHOU-UHFFFAOYSA-N
MW359.19 g/mol
LogP5.05
Rot. Bonds3

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

1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 81476241) has the molecular formula C16H14BrF3O and a molecular weight of 359.19 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID81476241
Molecular FormulaC16H14BrF3O
Molecular Weight359.19 g/mol
Exact Mass358.02
IUPAC Name1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccc(C(O)Cc2ccc(C(F)(F)F)cc2)cc1Br
InChIInChI=1S/C16H14BrF3O/c1-10-2-5-12(9-14(10)17)15(21)8-11-3-6-13(7-4-11)16(18,19)20/h2-7,9,15,21H,8H2,1H3
InChIKeyQQOFDKPWYWNHOU-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-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102829532
(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 115792429
1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115823932
2-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65479087
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-1-methylbenzene
CID 63530732
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62115577
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 81476241) is 1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol is Cc1ccc(C(O)Cc2ccc(C(F)(F)F)cc2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is QQOFDKPWYWNHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3O/c1-10-2-5-12(9-14(10)17)15(21)8-11-3-6-13(7-4-11)16(18,19)20/h2-7,9,15,21H,8H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]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-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 81476241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).