3,5-dibromophenol

C6H4Br2O — CID 12280

IUPAC3,5-dibromophenol
SMILESOc1cc(Br)cc(Br)c1
InChIInChI=1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKeyPZFMWYNHJFZBPO-UHFFFAOYSA-N
MW251.91 g/mol
LogP2.92
Rot. Bonds

About 3,5-dibromophenol

3,5-dibromophenol (PubChem CID 12280) has the molecular formula C6H4Br2O and a molecular weight of 251.91 g/mol. Its IUPAC name is 3,5-dibromophenol.

Molecular Properties

Compound Name3,5-dibromophenol
PubChem CID12280
Molecular FormulaC6H4Br2O
Molecular Weight251.91 g/mol
Exact Mass249.86
IUPAC Name3,5-dibromophenol
SMILESOc1cc(Br)cc(Br)c1
InChIInChI=1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKeyPZFMWYNHJFZBPO-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.91
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromophenol?
The IUPAC name of 3,5-dibromophenol (CID 12280) is 3,5-dibromophenol.
What is the SMILES notation for 3,5-dibromophenol?
The canonical SMILES for 3,5-dibromophenol is Oc1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromophenol?
The InChIKey is PZFMWYNHJFZBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H.
What are the key properties of 3,5-dibromophenol?
3,5-dibromophenol has a molecular weight of 251.91 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromophenol is sourced from PubChem (CID 12280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).