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

C7H6BrFO2 — CID 119021874

IUPAC3-bromo-5-fluoro-2-(hydroxymethyl)phenol
SMILESOCc1c(O)cc(F)cc1Br
InChIInChI=1S/C7H6BrFO2/c8-6-1-4(9)2-7(11)5(6)3-10/h1-2,10-11H,3H2
InChIKeyUTENXHQLNDRSGJ-UHFFFAOYSA-N
MW221.02 g/mol
LogP1.79
Rot. Bonds1

About 3-bromo-5-fluoro-2-(hydroxymethyl)phenol

3-bromo-5-fluoro-2-(hydroxymethyl)phenol (PubChem CID 119021874) has the molecular formula C7H6BrFO2 and a molecular weight of 221.02 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-(hydroxymethyl)phenol
PubChem CID119021874
Molecular FormulaC7H6BrFO2
Molecular Weight221.02 g/mol
Exact Mass219.95
IUPAC Name3-bromo-5-fluoro-2-(hydroxymethyl)phenol
SMILESOCc1c(O)cc(F)cc1Br
InChIInChI=1S/C7H6BrFO2/c8-6-1-4(9)2-7(11)5(6)3-10/h1-2,10-11H,3H2
InChIKeyUTENXHQLNDRSGJ-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-(hydroxymethyl)phenol?
The IUPAC name of 3-bromo-5-fluoro-2-(hydroxymethyl)phenol (CID 119021874) is 3-bromo-5-fluoro-2-(hydroxymethyl)phenol.
What is the SMILES notation for 3-bromo-5-fluoro-2-(hydroxymethyl)phenol?
The canonical SMILES for 3-bromo-5-fluoro-2-(hydroxymethyl)phenol is OCc1c(O)cc(F)cc1Br.
What is the InChIKey of 3-bromo-5-fluoro-2-(hydroxymethyl)phenol?
The InChIKey is UTENXHQLNDRSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO2/c8-6-1-4(9)2-7(11)5(6)3-10/h1-2,10-11H,3H2.
What are the key properties of 3-bromo-5-fluoro-2-(hydroxymethyl)phenol?
3-bromo-5-fluoro-2-(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 3-bromo-5-fluoro-2-(hydroxymethyl)phenol is sourced from PubChem (CID 119021874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).