2-bromo-3-ethoxy-6-fluorophenol

C8H8BrFO2 — CID 119019688

IUPAC2-bromo-3-ethoxy-6-fluorophenol
SMILESCCOc1ccc(F)c(O)c1Br
InChIInChI=1S/C8H8BrFO2/c1-2-12-6-4-3-5(10)8(11)7(6)9/h3-4,11H,2H2,1H3
InChIKeyNZHTZMYKYURVJY-UHFFFAOYSA-N
MW235.05 g/mol
LogP2.69
Rot. Bonds2

About 2-bromo-3-ethoxy-6-fluorophenol

2-bromo-3-ethoxy-6-fluorophenol (PubChem CID 119019688) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 2-bromo-3-ethoxy-6-fluorophenol.

Molecular Properties

Compound Name2-bromo-3-ethoxy-6-fluorophenol
PubChem CID119019688
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name2-bromo-3-ethoxy-6-fluorophenol
SMILESCCOc1ccc(F)c(O)c1Br
InChIInChI=1S/C8H8BrFO2/c1-2-12-6-4-3-5(10)8(11)7(6)9/h3-4,11H,2H2,1H3
InChIKeyNZHTZMYKYURVJY-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

6-bromo-4-ethoxy-2,3-difluorophenol
CID 84707726
4-bromo-2-ethoxy-5-fluorophenol
CID 118800387
2,3-dibromo-1-ethoxy-4,5-difluorobenzene
CID 118813468
1,2-dibromo-3-ethoxy-4-fluorobenzene
CID 118847248
2-ethoxy-4,5-difluorophenol
CID 131306358
2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene
CID 54514286
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 63434698
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298
1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
CID 58402522
6-ethoxy-2,3-dimethylphenol
CID 119015224
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethoxy-6-fluorophenol?
The IUPAC name of 2-bromo-3-ethoxy-6-fluorophenol (CID 119019688) is 2-bromo-3-ethoxy-6-fluorophenol.
What is the SMILES notation for 2-bromo-3-ethoxy-6-fluorophenol?
The canonical SMILES for 2-bromo-3-ethoxy-6-fluorophenol is CCOc1ccc(F)c(O)c1Br.
What is the InChIKey of 2-bromo-3-ethoxy-6-fluorophenol?
The InChIKey is NZHTZMYKYURVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c1-2-12-6-4-3-5(10)8(11)7(6)9/h3-4,11H,2H2,1H3.
What are the key properties of 2-bromo-3-ethoxy-6-fluorophenol?
2-bromo-3-ethoxy-6-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 2-bromo-3-ethoxy-6-fluorophenol is sourced from PubChem (CID 119019688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).