2-bromo-4-fluoro-6-methoxybenzene-1,3-diol

C7H6BrFO3 — CID 84699811

IUPAC2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
SMILESCOc1cc(F)c(O)c(Br)c1O
InChIInChI=1S/C7H6BrFO3/c1-12-4-2-3(9)6(10)5(8)7(4)11/h2,10-11H,1H3
InChIKeyRRQOGKHVPXCWFI-UHFFFAOYSA-N
MW237.02 g/mol
LogP2.01
Rot. Bonds1

About 2-bromo-4-fluoro-6-methoxybenzene-1,3-diol

2-bromo-4-fluoro-6-methoxybenzene-1,3-diol (PubChem CID 84699811) has the molecular formula C7H6BrFO3 and a molecular weight of 237.02 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-methoxybenzene-1,3-diol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
PubChem CID84699811
Molecular FormulaC7H6BrFO3
Molecular Weight237.02 g/mol
Exact Mass235.95
IUPAC Name2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
SMILESCOc1cc(F)c(O)c(Br)c1O
InChIInChI=1S/C7H6BrFO3/c1-12-4-2-3(9)6(10)5(8)7(4)11/h2,10-11H,1H3
InChIKeyRRQOGKHVPXCWFI-UHFFFAOYSA-N
XLogP2.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.02
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325
2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
CID 117447325
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117475581
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
2-[1-(1-aminoethyl)cyclopropyl]-3-bromo-4-fluoro-6-methoxyphenol
CID 117489178
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431
4-bromo-3,5-dimethoxyphenol
CID 14339099
4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171313994

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-methoxybenzene-1,3-diol?
The IUPAC name of 2-bromo-4-fluoro-6-methoxybenzene-1,3-diol (CID 84699811) is 2-bromo-4-fluoro-6-methoxybenzene-1,3-diol.
What is the SMILES notation for 2-bromo-4-fluoro-6-methoxybenzene-1,3-diol?
The canonical SMILES for 2-bromo-4-fluoro-6-methoxybenzene-1,3-diol is COc1cc(F)c(O)c(Br)c1O.
What is the InChIKey of 2-bromo-4-fluoro-6-methoxybenzene-1,3-diol?
The InChIKey is RRQOGKHVPXCWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO3/c1-12-4-2-3(9)6(10)5(8)7(4)11/h2,10-11H,1H3.
What are the key properties of 2-bromo-4-fluoro-6-methoxybenzene-1,3-diol?
2-bromo-4-fluoro-6-methoxybenzene-1,3-diol has a molecular weight of 237.02 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-methoxybenzene-1,3-diol is sourced from PubChem (CID 84699811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).