1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol

C15H13BrF2O — CID 105377660

IUPAC1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1ccc(F)cc1Br
InChIInChI=1S/C15H13BrF2O/c1-9-2-3-11(17)6-10(9)7-15(19)13-5-4-12(18)8-14(13)16/h2-6,8,15,19H,7H2,1H3
InChIKeyNJKIPRAINOFKCR-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.31
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol

1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 105377660) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID105377660
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1ccc(F)cc1Br
InChIInChI=1S/C15H13BrF2O/c1-9-2-3-11(17)6-10(9)7-15(19)13-5-4-12(18)8-14(13)16/h2-6,8,15,19H,7H2,1H3
InChIKeyNJKIPRAINOFKCR-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377688
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 102829639
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol
CID 105377699
2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115787001
1-(4-chloro-2,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377673
2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947895

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 105377660) is 1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1CC(O)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is NJKIPRAINOFKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-9-2-3-11(17)6-10(9)7-15(19)13-5-4-12(18)8-14(13)16/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 327.17 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 105377660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).