1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol

C15H13Br2FO2 — CID 115779284

IUPAC1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1ccc(F)cc1Br
InChIInChI=1S/C15H13Br2FO2/c1-20-15-5-2-10(16)6-9(15)7-14(19)12-4-3-11(18)8-13(12)17/h2-6,8,14,19H,7H2,1H3
InChIKeyJZMDIAMVOOQPRK-UHFFFAOYSA-N
MW404.07 g/mol
LogP4.64
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol

1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol (PubChem CID 115779284) has the molecular formula C15H13Br2FO2 and a molecular weight of 404.07 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
PubChem CID115779284
Molecular FormulaC15H13Br2FO2
Molecular Weight404.07 g/mol
Exact Mass401.93
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1ccc(F)cc1Br
InChIInChI=1S/C15H13Br2FO2/c1-20-15-5-2-10(16)6-9(15)7-14(19)12-4-3-11(18)8-13(12)17/h2-6,8,14,19H,7H2,1H3
InChIKeyJZMDIAMVOOQPRK-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-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65145914
2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947895
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115779294
1-(2,4-dibromophenyl)-2-(2,4-difluorophenyl)ethanol
CID 107947331
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 63035597
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol (CID 115779284) is 1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol is COc1ccc(Br)cc1CC(O)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol?
The InChIKey is JZMDIAMVOOQPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO2/c1-20-15-5-2-10(16)6-9(15)7-14(19)12-4-3-11(18)8-13(12)17/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol?
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-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-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol is sourced from PubChem (CID 115779284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).