4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol

C8H8BrFO3 — CID 117380249

IUPAC4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
SMILESCOc1cc(Br)c(CO)c(F)c1O
InChIInChI=1S/C8H8BrFO3/c1-13-6-2-5(9)4(3-11)7(10)8(6)12/h2,11-12H,3H2,1H3
InChIKeyTZJOGBJPBBWZSB-UHFFFAOYSA-N
MW251.05 g/mol
LogP1.79
Rot. Bonds2

About 4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol

4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol (PubChem CID 117380249) has the molecular formula C8H8BrFO3 and a molecular weight of 251.05 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
PubChem CID117380249
Molecular FormulaC8H8BrFO3
Molecular Weight251.05 g/mol
Exact Mass249.96
IUPAC Name4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
SMILESCOc1cc(Br)c(CO)c(F)c1O
InChIInChI=1S/C8H8BrFO3/c1-13-6-2-5(9)4(3-11)7(10)8(6)12/h2,11-12H,3H2,1H3
InChIKeyTZJOGBJPBBWZSB-UHFFFAOYSA-N
XLogP1.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.05
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one
CID 117471471
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
CID 84699811
3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol
CID 117471634
(3-bromo-4-fluoro-5-methoxyphenyl)methanol
CID 84698241
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
CID 84710429
3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol?
The IUPAC name of 4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol (CID 117380249) is 4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol is COc1cc(Br)c(CO)c(F)c1O.
What is the InChIKey of 4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol?
The InChIKey is TZJOGBJPBBWZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO3/c1-13-6-2-5(9)4(3-11)7(10)8(6)12/h2,11-12H,3H2,1H3.
What are the key properties of 4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol?
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol has a molecular weight of 251.05 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol is sourced from PubChem (CID 117380249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).