4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol

C7H6BrFO3 — CID 84798374

IUPAC4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
SMILESOCc1cc(Br)c(O)c(F)c1O
InChIInChI=1S/C7H6BrFO3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1,10-12H,2H2
InChIKeyNBKHCMYLEBOVQG-UHFFFAOYSA-N
MW237.02 g/mol
LogP1.49
Rot. Bonds1

About 4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol

4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol (PubChem CID 84798374) has the molecular formula C7H6BrFO3 and a molecular weight of 237.02 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
PubChem CID84798374
Molecular FormulaC7H6BrFO3
Molecular Weight237.02 g/mol
Exact Mass235.95
IUPAC Name4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
SMILESOCc1cc(Br)c(O)c(F)c1O
InChIInChI=1S/C7H6BrFO3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1,10-12H,2H2
InChIKeyNBKHCMYLEBOVQG-UHFFFAOYSA-N
XLogP1.49
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.02
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid
CID 84807500
(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol
CID 101070863
(5-bromo-3-chloro-2,4-difluorophenyl)methanol
CID 102171552
4-(3-aminopropyl)-6-bromo-2,3-difluorophenol
CID 117419034
6-(2-aminoethyl)-4-bromo-2,3-difluorophenol
CID 83900500
(3-bromo-2,5-difluorophenyl)methanol
CID 66657412
3-(5-bromo-2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117475605
6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol
CID 117447256
4-bromo-3-fluoro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117382986
4-bromo-2-fluoro-5-(hydroxymethyl)phenol
CID 66726435
2-bromo-4-fluoro-5-(hydroxymethyl)phenol
CID 118806278
2-fluoro-6-(hydroxymethyl)-4-methylphenol
CID 84650325

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol?
The IUPAC name of 4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol (CID 84798374) is 4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol.
What is the SMILES notation for 4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol?
The canonical SMILES for 4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol is OCc1cc(Br)c(O)c(F)c1O.
What is the InChIKey of 4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol?
The InChIKey is NBKHCMYLEBOVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1,10-12H,2H2.
What are the key properties of 4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol?
4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol has a molecular weight of 237.02 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol is sourced from PubChem (CID 84798374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).