4-bromo-2-ethoxy-5-fluorophenol

C8H8BrFO2 — CID 118800387

IUPAC4-bromo-2-ethoxy-5-fluorophenol
SMILESCCOc1cc(Br)c(F)cc1O
InChIInChI=1S/C8H8BrFO2/c1-2-12-8-3-5(9)6(10)4-7(8)11/h3-4,11H,2H2,1H3
InChIKeyYMWUMAYFVFRECS-UHFFFAOYSA-N
MW235.05 g/mol
LogP2.69
Rot. Bonds2

About 4-bromo-2-ethoxy-5-fluorophenol

4-bromo-2-ethoxy-5-fluorophenol (PubChem CID 118800387) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-5-fluorophenol.

Molecular Properties

Compound Name4-bromo-2-ethoxy-5-fluorophenol
PubChem CID118800387
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name4-bromo-2-ethoxy-5-fluorophenol
SMILESCCOc1cc(Br)c(F)cc1O
InChIInChI=1S/C8H8BrFO2/c1-2-12-8-3-5(9)6(10)4-7(8)11/h3-4,11H,2H2,1H3
InChIKeyYMWUMAYFVFRECS-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.05
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4,5-difluorophenol
CID 131306358
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951
6-bromo-4-ethoxy-2,3-difluorophenol
CID 84707726
4-bromo-5-fluoro-2-methoxyphenol;formaldehyde
CID 174569223
5-ethoxy-2,4-difluorophenol
CID 125116194
2-ethoxy-4,5-dimethylphenol
CID 82053903
ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117472829
2-bromo-4-ethoxy-5-fluorobenzoic acid
CID 126980084
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
1-bromo-2,4-difluoro-5-propoxybenzene
CID 125115840

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-5-fluorophenol?
The IUPAC name of 4-bromo-2-ethoxy-5-fluorophenol (CID 118800387) is 4-bromo-2-ethoxy-5-fluorophenol.
What is the SMILES notation for 4-bromo-2-ethoxy-5-fluorophenol?
The canonical SMILES for 4-bromo-2-ethoxy-5-fluorophenol is CCOc1cc(Br)c(F)cc1O.
What is the InChIKey of 4-bromo-2-ethoxy-5-fluorophenol?
The InChIKey is YMWUMAYFVFRECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c1-2-12-8-3-5(9)6(10)4-7(8)11/h3-4,11H,2H2,1H3.
What are the key properties of 4-bromo-2-ethoxy-5-fluorophenol?
4-bromo-2-ethoxy-5-fluorophenol has a molecular weight of 235.05 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-5-fluorophenol is sourced from PubChem (CID 118800387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).