1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol

C15H14BrFO3 — CID 104707954

IUPAC1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
SMILESCOc1ccc(Oc2cccc(F)c2C(C)O)c(Br)c1
InChIInChI=1S/C15H14BrFO3/c1-9(18)15-12(17)4-3-5-14(15)20-13-7-6-10(19-2)8-11(13)16/h3-9,18H,1-2H3
InChIKeyGKRJENRWBUGISN-UHFFFAOYSA-N
MW341.18 g/mol
LogP4.44
Rot. Bonds4

About 1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol

1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol (PubChem CID 104707954) has the molecular formula C15H14BrFO3 and a molecular weight of 341.18 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
PubChem CID104707954
Molecular FormulaC15H14BrFO3
Molecular Weight341.18 g/mol
Exact Mass340.01
IUPAC Name1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
SMILESCOc1ccc(Oc2cccc(F)c2C(C)O)c(Br)c1
InChIInChI=1S/C15H14BrFO3/c1-9(18)15-12(17)4-3-5-14(15)20-13-7-6-10(19-2)8-11(13)16/h3-9,18H,1-2H3
InChIKeyGKRJENRWBUGISN-UHFFFAOYSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
CID 104707975
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
1-[2-fluoro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506269
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
CID 104940737
(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
(1R)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659058
(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659074
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 107724964
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol (CID 104707954) is 1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol is COc1ccc(Oc2cccc(F)c2C(C)O)c(Br)c1.
What is the InChIKey of 1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol?
The InChIKey is GKRJENRWBUGISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO3/c1-9(18)15-12(17)4-3-5-14(15)20-13-7-6-10(19-2)8-11(13)16/h3-9,18H,1-2H3.
What are the key properties of 1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol?
1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol has a molecular weight of 341.18 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol is sourced from PubChem (CID 104707954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).