5-bromo-2-methylphenol

C7H7BrO — CID 12648404

IUPAC5-bromo-2-methylphenol
SMILESCc1ccc(Br)cc1O
InChIInChI=1S/C7H7BrO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
InChIKeyOONJCAWRVJDVBB-UHFFFAOYSA-N
MW187.04 g/mol
LogP2.46
Rot. Bonds

About 5-bromo-2-methylphenol

5-bromo-2-methylphenol (PubChem CID 12648404) has the molecular formula C7H7BrO and a molecular weight of 187.04 g/mol. Its IUPAC name is 5-bromo-2-methylphenol.

Molecular Properties

Compound Name5-bromo-2-methylphenol
PubChem CID12648404
Molecular FormulaC7H7BrO
Molecular Weight187.04 g/mol
Exact Mass185.97
IUPAC Name5-bromo-2-methylphenol
SMILESCc1ccc(Br)cc1O
InChIInChI=1S/C7H7BrO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
InChIKeyOONJCAWRVJDVBB-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylphenol?
The IUPAC name of 5-bromo-2-methylphenol (CID 12648404) is 5-bromo-2-methylphenol.
What is the SMILES notation for 5-bromo-2-methylphenol?
The canonical SMILES for 5-bromo-2-methylphenol is Cc1ccc(Br)cc1O.
What is the InChIKey of 5-bromo-2-methylphenol?
The InChIKey is OONJCAWRVJDVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3.
What are the key properties of 5-bromo-2-methylphenol?
5-bromo-2-methylphenol has a molecular weight of 187.04 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylphenol is sourced from PubChem (CID 12648404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).