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

C15H13Br2FO2 — CID 115826418

IUPAC2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1cccc(F)c1Br
InChIInChI=1S/C15H13Br2FO2/c1-20-14-8-10(16)5-6-11(14)13(19)7-9-3-2-4-12(18)15(9)17/h2-6,8,13,19H,7H2,1H3
InChIKeyPQVOZHPYZWTEBL-UHFFFAOYSA-N
MW404.07 g/mol
LogP4.64
Rot. Bonds4

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

2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol (PubChem CID 115826418) has the molecular formula C15H13Br2FO2 and a molecular weight of 404.07 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
PubChem CID115826418
Molecular FormulaC15H13Br2FO2
Molecular Weight404.07 g/mol
Exact Mass401.93
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1cccc(F)c1Br
InChIInChI=1S/C15H13Br2FO2/c1-20-14-8-10(16)5-6-11(14)13(19)7-9-3-2-4-12(18)15(9)17/h2-6,8,13,19H,7H2,1H3
InChIKeyPQVOZHPYZWTEBL-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

1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831118
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 65150727
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832698
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115826420
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782457
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-fluorophenyl)ethanol
CID 115826503
4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene
CID 115370094
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
CID 114980288
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol (CID 115826418) is 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol is COc1cc(Br)ccc1C(O)Cc1cccc(F)c1Br.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol?
The InChIKey is PQVOZHPYZWTEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO2/c1-20-14-8-10(16)5-6-11(14)13(19)7-9-3-2-4-12(18)15(9)17/h2-6,8,13,19H,7H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol?
2-(2-bromo-3-fluorophenyl)-1-(4-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 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol is sourced from PubChem (CID 115826418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).