2-bromo-4-methylphenol

C7H7BrO — CID 23109

IUPAC2-bromo-4-methylphenol
SMILESCc1ccc(O)c(Br)c1
InChIInChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKeyMTIDYGLTAOZOGU-UHFFFAOYSA-N
MW187.04 g/mol
LogP2.46
Rot. Bonds

About 2-bromo-4-methylphenol

2-bromo-4-methylphenol (PubChem CID 23109) has the molecular formula C7H7BrO and a molecular weight of 187.04 g/mol. Its IUPAC name is 2-bromo-4-methylphenol.

Molecular Properties

Compound Name2-bromo-4-methylphenol
PubChem CID23109
Molecular FormulaC7H7BrO
Molecular Weight187.04 g/mol
Exact Mass185.97
IUPAC Name2-bromo-4-methylphenol
SMILESCc1ccc(O)c(Br)c1
InChIInChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKeyMTIDYGLTAOZOGU-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 2-bromo-4-methylphenol?
The IUPAC name of 2-bromo-4-methylphenol (CID 23109) is 2-bromo-4-methylphenol.
What is the SMILES notation for 2-bromo-4-methylphenol?
The canonical SMILES for 2-bromo-4-methylphenol is Cc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-methylphenol?
The InChIKey is MTIDYGLTAOZOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3.
What are the key properties of 2-bromo-4-methylphenol?
2-bromo-4-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 2-bromo-4-methylphenol is sourced from PubChem (CID 23109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).