1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol

C15H13Br2FO2 — CID 63893179

IUPAC1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(Br)cc2F)cc1Br
InChIInChI=1S/C15H13Br2FO2/c1-20-15-5-2-9(6-12(15)17)7-14(19)11-4-3-10(16)8-13(11)18/h2-6,8,14,19H,7H2,1H3
InChIKeyUZLUDMYHFONIKY-UHFFFAOYSA-N
MW404.07 g/mol
LogP4.64
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol

1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol (PubChem CID 63893179) has the molecular formula C15H13Br2FO2 and a molecular weight of 404.07 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
PubChem CID63893179
Molecular FormulaC15H13Br2FO2
Molecular Weight404.07 g/mol
Exact Mass401.93
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(Br)cc2F)cc1Br
InChIInChI=1S/C15H13Br2FO2/c1-20-15-5-2-9(6-12(15)17)7-14(19)11-4-3-10(16)8-13(11)18/h2-6,8,14,19H,7H2,1H3
InChIKeyUZLUDMYHFONIKY-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.07
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115779364
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018074
2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115779451
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 61078831
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 103395965
3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 79449548
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol (CID 63893179) is 1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2ccc(Br)cc2F)cc1Br.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol?
The InChIKey is UZLUDMYHFONIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO2/c1-20-15-5-2-9(6-12(15)17)7-14(19)11-4-3-10(16)8-13(11)18/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol?
1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol has a molecular weight of 404.07 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol is sourced from PubChem (CID 63893179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).