2,4-dibromo-6-(hydroxymethyl)phenol

C7H6Br2O2 — CID 637558

IUPAC2,4-dibromo-6-(hydroxymethyl)phenol
SMILESOCc1cc(Br)cc(Br)c1O
InChIInChI=1S/C7H6Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,10-11H,3H2
InChIKeyAXRZRBIBAABFEA-UHFFFAOYSA-N
MW281.93 g/mol
LogP2.41
Rot. Bonds1

About 2,4-dibromo-6-(hydroxymethyl)phenol

2,4-dibromo-6-(hydroxymethyl)phenol (PubChem CID 637558) has the molecular formula C7H6Br2O2 and a molecular weight of 281.93 g/mol. Its IUPAC name is 2,4-dibromo-6-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(hydroxymethyl)phenol
PubChem CID637558
Molecular FormulaC7H6Br2O2
Molecular Weight281.93 g/mol
Exact Mass279.87
IUPAC Name2,4-dibromo-6-(hydroxymethyl)phenol
SMILESOCc1cc(Br)cc(Br)c1O
InChIInChI=1S/C7H6Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,10-11H,3H2
InChIKeyAXRZRBIBAABFEA-UHFFFAOYSA-N
XLogP2.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.93
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(hydroxymethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(hydroxymethyl)phenol (CID 637558) is 2,4-dibromo-6-(hydroxymethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(hydroxymethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(hydroxymethyl)phenol is OCc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(hydroxymethyl)phenol?
The InChIKey is AXRZRBIBAABFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,10-11H,3H2.
What are the key properties of 2,4-dibromo-6-(hydroxymethyl)phenol?
2,4-dibromo-6-(hydroxymethyl)phenol has a molecular weight of 281.93 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(hydroxymethyl)phenol is sourced from PubChem (CID 637558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).