4-bromo-2-fluoro-5-(hydroxymethyl)phenol

C7H6BrFO2 — CID 66726435

IUPAC4-bromo-2-fluoro-5-(hydroxymethyl)phenol
SMILESOCc1cc(O)c(F)cc1Br
InChIInChI=1S/C7H6BrFO2/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,10-11H,3H2
InChIKeyTXGZSRJEBPFEJI-UHFFFAOYSA-N
MW221.02 g/mol
LogP1.79
Rot. Bonds1

About 4-bromo-2-fluoro-5-(hydroxymethyl)phenol

4-bromo-2-fluoro-5-(hydroxymethyl)phenol (PubChem CID 66726435) has the molecular formula C7H6BrFO2 and a molecular weight of 221.02 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-(hydroxymethyl)phenol
PubChem CID66726435
Molecular FormulaC7H6BrFO2
Molecular Weight221.02 g/mol
Exact Mass219.95
IUPAC Name4-bromo-2-fluoro-5-(hydroxymethyl)phenol
SMILESOCc1cc(O)c(F)cc1Br
InChIInChI=1S/C7H6BrFO2/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,10-11H,3H2
InChIKeyTXGZSRJEBPFEJI-UHFFFAOYSA-N
XLogP1.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-5-(hydroxymethyl)phenol
CID 118806278
5-(aminomethyl)-4-bromo-2-fluorophenol
CID 118991902
4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol
CID 155342066
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
5-amino-4-bromo-2-fluorophenol
CID 74892030
(2-bromo-4,5-dichlorophenyl)methanol
CID 68615356
4-bromo-5-(difluoromethyl)-2-fluorophenol
CID 119008517
4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
CID 84798374
4,6-bis(hydroxymethyl)benzene-1,3-diol
CID 66920860
2-bromo-4-fluoro-5-hydroxybenzoic acid
CID 66545185
3-bromo-4-(hydroxymethyl)phenol
CID 54447662

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-5-(hydroxymethyl)phenol?
The IUPAC name of 4-bromo-2-fluoro-5-(hydroxymethyl)phenol (CID 66726435) is 4-bromo-2-fluoro-5-(hydroxymethyl)phenol.
What is the SMILES notation for 4-bromo-2-fluoro-5-(hydroxymethyl)phenol?
The canonical SMILES for 4-bromo-2-fluoro-5-(hydroxymethyl)phenol is OCc1cc(O)c(F)cc1Br.
What is the InChIKey of 4-bromo-2-fluoro-5-(hydroxymethyl)phenol?
The InChIKey is TXGZSRJEBPFEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO2/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,10-11H,3H2.
What are the key properties of 4-bromo-2-fluoro-5-(hydroxymethyl)phenol?
4-bromo-2-fluoro-5-(hydroxymethyl)phenol has a molecular weight of 221.02 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-5-(hydroxymethyl)phenol is sourced from PubChem (CID 66726435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).