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

C7H6BrFO2 — CID 118806278

IUPAC2-bromo-4-fluoro-5-(hydroxymethyl)phenol
SMILESOCc1cc(O)c(Br)cc1F
InChIInChI=1S/C7H6BrFO2/c8-5-2-6(9)4(3-10)1-7(5)11/h1-2,10-11H,3H2
InChIKeyCMACZLRDKZMGBC-UHFFFAOYSA-N
MW221.02 g/mol
LogP1.79
Rot. Bonds1

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

2-bromo-4-fluoro-5-(hydroxymethyl)phenol (PubChem CID 118806278) has the molecular formula C7H6BrFO2 and a molecular weight of 221.02 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-(hydroxymethyl)phenol
PubChem CID118806278
Molecular FormulaC7H6BrFO2
Molecular Weight221.02 g/mol
Exact Mass219.95
IUPAC Name2-bromo-4-fluoro-5-(hydroxymethyl)phenol
SMILESOCc1cc(O)c(Br)cc1F
InChIInChI=1S/C7H6BrFO2/c8-5-2-6(9)4(3-10)1-7(5)11/h1-2,10-11H,3H2
InChIKeyCMACZLRDKZMGBC-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 2-bromo-4-fluoro-5-(hydroxymethyl)phenol?
The IUPAC name of 2-bromo-4-fluoro-5-(hydroxymethyl)phenol (CID 118806278) is 2-bromo-4-fluoro-5-(hydroxymethyl)phenol.
What is the SMILES notation for 2-bromo-4-fluoro-5-(hydroxymethyl)phenol?
The canonical SMILES for 2-bromo-4-fluoro-5-(hydroxymethyl)phenol is OCc1cc(O)c(Br)cc1F.
What is the InChIKey of 2-bromo-4-fluoro-5-(hydroxymethyl)phenol?
The InChIKey is CMACZLRDKZMGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO2/c8-5-2-6(9)4(3-10)1-7(5)11/h1-2,10-11H,3H2.
What are the key properties of 2-bromo-4-fluoro-5-(hydroxymethyl)phenol?
2-bromo-4-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 2-bromo-4-fluoro-5-(hydroxymethyl)phenol is sourced from PubChem (CID 118806278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).