1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol

C10H12BrFO3 — CID 84714942

IUPAC1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
SMILESCOc1cc(F)c(Br)c(C(C)O)c1OC
InChIInChI=1S/C10H12BrFO3/c1-5(13)8-9(11)6(12)4-7(14-2)10(8)15-3/h4-5,13H,1-3H3
InChIKeyKIGOJQXFURSBEJ-UHFFFAOYSA-N
MW279.11 g/mol
LogP2.66
Rot. Bonds3

About 1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol

1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol (PubChem CID 84714942) has the molecular formula C10H12BrFO3 and a molecular weight of 279.11 g/mol. Its IUPAC name is 1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
PubChem CID84714942
Molecular FormulaC10H12BrFO3
Molecular Weight279.11 g/mol
Exact Mass278.00
IUPAC Name1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
SMILESCOc1cc(F)c(Br)c(C(C)O)c1OC
InChIInChI=1S/C10H12BrFO3/c1-5(13)8-9(11)6(12)4-7(14-2)10(8)15-3/h4-5,13H,1-3H3
InChIKeyKIGOJQXFURSBEJ-UHFFFAOYSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
3-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491312
3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol
CID 117416440
2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474365
3-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)butanal
CID 117490422
1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
CID 84706864
2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117475581
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)propan-1-ol
CID 117451005
1-(3,6-difluoro-2-methoxyphenyl)ethanol
CID 84661307
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol?
The IUPAC name of 1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol (CID 84714942) is 1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol is COc1cc(F)c(Br)c(C(C)O)c1OC.
What is the InChIKey of 1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol?
The InChIKey is KIGOJQXFURSBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO3/c1-5(13)8-9(11)6(12)4-7(14-2)10(8)15-3/h4-5,13H,1-3H3.
What are the key properties of 1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol?
1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol has a molecular weight of 279.11 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol is sourced from PubChem (CID 84714942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).