1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol

C15H13Br2FO2 — CID 103395965

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
SMILESCOc1cc(F)c(Br)cc1C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H13Br2FO2/c1-20-15-8-13(18)12(17)7-11(15)14(19)6-9-2-4-10(16)5-3-9/h2-5,7-8,14,19H,6H2,1H3
InChIKeyDQVWFTALILHBAY-UHFFFAOYSA-N
MW404.07 g/mol
LogP4.64
Rot. Bonds4

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol (PubChem CID 103395965) has the molecular formula C15H13Br2FO2 and a molecular weight of 404.07 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
PubChem CID103395965
Molecular FormulaC15H13Br2FO2
Molecular Weight404.07 g/mol
Exact Mass401.93
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
SMILESCOc1cc(F)c(Br)cc1C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H13Br2FO2/c1-20-15-8-13(18)12(17)7-11(15)14(19)6-9-2-4-10(16)5-3-9/h2-5,7-8,14,19H,6H2,1H3
InChIKeyDQVWFTALILHBAY-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-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 103396109
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine
CID 103394333
1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 65434522
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61087578
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 103394564
1-(2-fluoro-4,5-dimethoxyphenyl)-2-(4-methylphenyl)ethanol
CID 62865520
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol (CID 103395965) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol is COc1cc(F)c(Br)cc1C(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol?
The InChIKey is DQVWFTALILHBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO2/c1-20-15-8-13(18)12(17)7-11(15)14(19)6-9-2-4-10(16)5-3-9/h2-5,7-8,14,19H,6H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol?
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)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-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol is sourced from PubChem (CID 103395965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).