2-bromo-4-fluoro-6-methoxyphenol

C7H6BrFO2 — CID 58419882

IUPAC2-bromo-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc(Br)c1O
InChIInChI=1S/C7H6BrFO2/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3,10H,1H3
InChIKeyGTIRYDMXHBDLPF-UHFFFAOYSA-N
MW221.03 g/mol
LogP2.30
Rot. Bonds1

About 2-bromo-4-fluoro-6-methoxyphenol

2-bromo-4-fluoro-6-methoxyphenol (PubChem CID 58419882) has the molecular formula C7H6BrFO2 and a molecular weight of 221.03 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-methoxyphenol
PubChem CID58419882
Molecular FormulaC7H6BrFO2
Molecular Weight221.03 g/mol
Exact Mass219.95
IUPAC Name2-bromo-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc(Br)c1O
InChIInChI=1S/C7H6BrFO2/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3,10H,1H3
InChIKeyGTIRYDMXHBDLPF-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.03
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5-fluoro-2,3-dimethoxybenzene;2-bromo-4-fluoro-6-methoxyphenol;deuterio(fluoro)methane
CID 159278518
2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 15547804
2-bromo-6-methoxy-4-(trifluoromethoxy)phenol
CID 131277927
2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83078315
2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
CID 84699811
4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol
CID 130062366
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone
CID 171020270
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromo-6-methoxyphenol
CID 66512189
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetate
CID 7016572
2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol
CID 83900216

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-methoxyphenol?
The IUPAC name of 2-bromo-4-fluoro-6-methoxyphenol (CID 58419882) is 2-bromo-4-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-fluoro-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-fluoro-6-methoxyphenol is COc1cc(F)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-fluoro-6-methoxyphenol?
The InChIKey is GTIRYDMXHBDLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO2/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3,10H,1H3.
What are the key properties of 2-bromo-4-fluoro-6-methoxyphenol?
2-bromo-4-fluoro-6-methoxyphenol has a molecular weight of 221.03 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-methoxyphenol is sourced from PubChem (CID 58419882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).