2,5-dibromo-3-methylphenol

C7H6Br2O — CID 84807682

IUPAC2,5-dibromo-3-methylphenol
SMILESCc1cc(Br)cc(O)c1Br
InChIInChI=1S/C7H6Br2O/c1-4-2-5(8)3-6(10)7(4)9/h2-3,10H,1H3
InChIKeyAALDYTGQPBOJLI-UHFFFAOYSA-N
MW265.93 g/mol
LogP3.23
Rot. Bonds

About 2,5-dibromo-3-methylphenol

2,5-dibromo-3-methylphenol (PubChem CID 84807682) has the molecular formula C7H6Br2O and a molecular weight of 265.93 g/mol. Its IUPAC name is 2,5-dibromo-3-methylphenol.

Molecular Properties

Compound Name2,5-dibromo-3-methylphenol
PubChem CID84807682
Molecular FormulaC7H6Br2O
Molecular Weight265.93 g/mol
Exact Mass263.88
IUPAC Name2,5-dibromo-3-methylphenol
SMILESCc1cc(Br)cc(O)c1Br
InChIInChI=1S/C7H6Br2O/c1-4-2-5(8)3-6(10)7(4)9/h2-3,10H,1H3
InChIKeyAALDYTGQPBOJLI-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.93
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-methylphenol?
The IUPAC name of 2,5-dibromo-3-methylphenol (CID 84807682) is 2,5-dibromo-3-methylphenol.
What is the SMILES notation for 2,5-dibromo-3-methylphenol?
The canonical SMILES for 2,5-dibromo-3-methylphenol is Cc1cc(Br)cc(O)c1Br.
What is the InChIKey of 2,5-dibromo-3-methylphenol?
The InChIKey is AALDYTGQPBOJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O/c1-4-2-5(8)3-6(10)7(4)9/h2-3,10H,1H3.
What are the key properties of 2,5-dibromo-3-methylphenol?
2,5-dibromo-3-methylphenol has a molecular weight of 265.93 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-methylphenol is sourced from PubChem (CID 84807682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).