2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol

C8H8BrFO2 — CID 84698228

IUPAC2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(Br)c(O)cc1F
InChIInChI=1S/C8H8BrFO2/c1-4(11)5-2-6(9)8(12)3-7(5)10/h2-4,11-12H,1H3
InChIKeyXFPJQZONPNQBGB-UHFFFAOYSA-N
MW235.05 g/mol
LogP2.35
Rot. Bonds1

About 2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol

2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol (PubChem CID 84698228) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
PubChem CID84698228
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(Br)c(O)cc1F
InChIInChI=1S/C8H8BrFO2/c1-4(11)5-2-6(9)8(12)3-7(5)10/h2-4,11-12H,1H3
InChIKeyXFPJQZONPNQBGB-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

4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 178201686
2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
CID 84698226
1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
CID 58572415
4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol
CID 104581898
2-bromo-4-chloro-5-fluorophenol
CID 18997596
2-bromo-4-fluoro-5-methylphenol
CID 84672831
1-(3-bromo-2,5-difluorophenyl)ethanol
CID 14621022

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol?
The IUPAC name of 2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol (CID 84698228) is 2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol.
What is the SMILES notation for 2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol?
The canonical SMILES for 2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol is CC(O)c1cc(Br)c(O)cc1F.
What is the InChIKey of 2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol?
The InChIKey is XFPJQZONPNQBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c1-4(11)5-2-6(9)8(12)3-7(5)10/h2-4,11-12H,1H3.
What are the key properties of 2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol?
2-bromo-5-fluoro-4-(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-5-fluoro-4-(1-hydroxyethyl)phenol is sourced from PubChem (CID 84698228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).