1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol

C9H10BrFO2 — CID 84706864

IUPAC1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(F)ccc(Br)c1C(C)O
InChIInChI=1S/C9H10BrFO2/c1-5(12)8-6(10)3-4-7(11)9(8)13-2/h3-5,12H,1-2H3
InChIKeyGPEPJXZFMFRZCJ-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.65
Rot. Bonds2

About 1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol

1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol (PubChem CID 84706864) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
PubChem CID84706864
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(F)ccc(Br)c1C(C)O
InChIInChI=1S/C9H10BrFO2/c1-5(12)8-6(10)3-4-7(11)9(8)13-2/h3-5,12H,1-2H3
InChIKeyGPEPJXZFMFRZCJ-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,6-difluoro-2-methoxyphenyl)ethanol
CID 84661307
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
CID 155293778
1-(3-bromo-2-methoxy-6-methylphenyl)ethanol
CID 84704881
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid
CID 83904485
6-bromo-3-fluoro-2-methoxybenzenethiol
CID 171005789
1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
CID 84714942
3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol
CID 117416440
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene
CID 131371820
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol (CID 84706864) is 1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol is COc1c(F)ccc(Br)c1C(C)O.
What is the InChIKey of 1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol?
The InChIKey is GPEPJXZFMFRZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-5(12)8-6(10)3-4-7(11)9(8)13-2/h3-5,12H,1-2H3.
What are the key properties of 1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol?
1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol has a molecular weight of 249.08 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 84706864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).