2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol

C15H13BrF2O — CID 115826420

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(F)c2Br)c(F)c1
InChIInChI=1S/C15H13BrF2O/c1-9-5-6-11(13(18)7-9)14(19)8-10-3-2-4-12(17)15(10)16/h2-7,14,19H,8H2,1H3
InChIKeyMADHQTXOEBQUOO-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol

2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol (PubChem CID 115826420) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol
PubChem CID115826420
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(F)c2Br)c(F)c1
InChIInChI=1S/C15H13BrF2O/c1-9-5-6-11(13(18)7-9)14(19)8-10-3-2-4-12(17)15(10)16/h2-7,14,19H,8H2,1H3
InChIKeyMADHQTXOEBQUOO-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-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653163
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
CID 115826418
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-fluorophenyl)ethanol
CID 115826503
1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 106859159
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800910
1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
1-(2-bromo-3-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 107983842
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105020475
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanol
CID 61086986
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185
2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105118256

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol (CID 115826420) is 2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol is Cc1ccc(C(O)Cc2cccc(F)c2Br)c(F)c1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol?
The InChIKey is MADHQTXOEBQUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-9-5-6-11(13(18)7-9)14(19)8-10-3-2-4-12(17)15(10)16/h2-7,14,19H,8H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol?
2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-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 2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 115826420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).