3-bromo-4-methoxyphenol

C7H7BrO2 — CID 608815

IUPAC3-bromo-4-methoxyphenol
SMILESCOc1ccc(O)cc1Br
InChIInChI=1S/C7H7BrO2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3
InChIKeyNOJOUQQJSGRBMN-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.16
Rot. Bonds1

About 3-bromo-4-methoxyphenol

3-bromo-4-methoxyphenol (PubChem CID 608815) has the molecular formula C7H7BrO2 and a molecular weight of 203.03 g/mol. Its IUPAC name is 3-bromo-4-methoxyphenol.

Molecular Properties

Compound Name3-bromo-4-methoxyphenol
PubChem CID608815
Molecular FormulaC7H7BrO2
Molecular Weight203.03 g/mol
Exact Mass201.96
IUPAC Name3-bromo-4-methoxyphenol
SMILESCOc1ccc(O)cc1Br
InChIInChI=1S/C7H7BrO2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3
InChIKeyNOJOUQQJSGRBMN-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxyphenol?
The IUPAC name of 3-bromo-4-methoxyphenol (CID 608815) is 3-bromo-4-methoxyphenol.
What is the SMILES notation for 3-bromo-4-methoxyphenol?
The canonical SMILES for 3-bromo-4-methoxyphenol is COc1ccc(O)cc1Br.
What is the InChIKey of 3-bromo-4-methoxyphenol?
The InChIKey is NOJOUQQJSGRBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3.
What are the key properties of 3-bromo-4-methoxyphenol?
3-bromo-4-methoxyphenol has a molecular weight of 203.03 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxyphenol is sourced from PubChem (CID 608815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).