1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol

C15H14BrFO3 — CID 109416024

IUPAC1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
SMILESCOc1cccc(F)c1OCC(O)c1ccccc1Br
InChIInChI=1S/C15H14BrFO3/c1-19-14-8-4-7-12(17)15(14)20-9-13(18)10-5-2-3-6-11(10)16/h2-8,13,18H,9H2,1H3
InChIKeyDSFUHTZWCIZGEW-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.71
Rot. Bonds5

About 1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol

1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol (PubChem CID 109416024) has the molecular formula C15H14BrFO3 and a molecular weight of 341.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
PubChem CID109416024
Molecular FormulaC15H14BrFO3
Molecular Weight341.18 g/mol
Exact Mass340.01
IUPAC Name1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
SMILESCOc1cccc(F)c1OCC(O)c1ccccc1Br
InChIInChI=1S/C15H14BrFO3/c1-19-14-8-4-7-12(17)15(14)20-9-13(18)10-5-2-3-6-11(10)16/h2-8,13,18H,9H2,1H3
InChIKeyDSFUHTZWCIZGEW-UHFFFAOYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
CID 109416021
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanol
CID 63038192
2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 109416014
1-(2-fluoro-6-methoxyphenoxy)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 109416030
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanamine
CID 63038149
1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
CID 109416037
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832698
(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
CID 86730397
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
CID 110017843
2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol
CID 103865817

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol?
The IUPAC name of 1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol (CID 109416024) is 1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol is COc1cccc(F)c1OCC(O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol?
The InChIKey is DSFUHTZWCIZGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO3/c1-19-14-8-4-7-12(17)15(14)20-9-13(18)10-5-2-3-6-11(10)16/h2-8,13,18H,9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol?
1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol has a molecular weight of 341.18 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol is sourced from PubChem (CID 109416024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).