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

C15H13BrF2O — CID 114346820

IUPAC1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H13BrF2O/c1-9-6-12(17)4-2-10(9)8-15(19)11-3-5-14(18)13(16)7-11/h2-7,15,19H,8H2,1H3
InChIKeyIHMTUXIUBUUZKK-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.31
Rot. Bonds3

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

1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 114346820) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
PubChem CID114346820
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H13BrF2O/c1-9-6-12(17)4-2-10(9)8-15(19)11-3-5-14(18)13(16)7-11/h2-7,15,19H,8H2,1H3
InChIKeyIHMTUXIUBUUZKK-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

2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol
CID 115838318
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65148052
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724
1-(4-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346759
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 81447982
1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 114982155
1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
CID 70906663
1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346774
2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol (CID 114346820) is 1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1CC(O)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is IHMTUXIUBUUZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-9-6-12(17)4-2-10(9)8-15(19)11-3-5-14(18)13(16)7-11/h2-7,15,19H,8H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol?
1-(3-bromo-4-fluorophenyl)-2-(4-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-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 114346820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).