2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol

C8H8BrFO2 — CID 84698226

IUPAC2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(F)cc(Br)c1O
InChIInChI=1S/C8H8BrFO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-4,11-12H,1H3
InChIKeyXCHCJVMNSOQMIG-UHFFFAOYSA-N
MW235.05 g/mol
LogP2.35
Rot. Bonds1

About 2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol

2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol (PubChem CID 84698226) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
PubChem CID84698226
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(F)cc(Br)c1O
InChIInChI=1S/C8H8BrFO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-4,11-12H,1H3
InChIKeyXCHCJVMNSOQMIG-UHFFFAOYSA-N
XLogP2.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.05
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2,5-difluorophenyl)ethanol
CID 14621022
1-(3-bromo-5-fluoro-2-methylphenyl)ethanol
CID 84696341
1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanol
CID 84706860
2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol
CID 83904397
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
2-bromo-6-[(1S)-1,2-diaminoethyl]-4-fluorophenol
CID 130699524
2-bromo-6-[(1S)-1,2-diaminoethyl]-4-fluorophenol;hydrochloride
CID 171257019
2-bromo-4-fluoro-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171298115
2-[(1R)-1-amino-2-hydroxyethyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253657
2-bromo-6-[(1R)-1,3-diaminopropyl]-4-fluorophenol;hydrochloride
CID 171257029
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253683
methyl 3-bromo-4-hydroxy-5-(1-hydroxyethyl)benzoate
CID 163691960

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol?
The IUPAC name of 2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol (CID 84698226) is 2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol.
What is the SMILES notation for 2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol?
The canonical SMILES for 2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol is CC(O)c1cc(F)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol?
The InChIKey is XCHCJVMNSOQMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-4,11-12H,1H3.
What are the key properties of 2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol?
2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol has a molecular weight of 235.05 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol is sourced from PubChem (CID 84698226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).