2-amino-6-bromo-4-methoxyphenol

C7H8BrNO2 — CID 11171982

IUPAC2-amino-6-bromo-4-methoxyphenol
SMILESCOc1cc(N)c(O)c(Br)c1
InChIInChI=1S/C7H8BrNO2/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,9H2,1H3
InChIKeyQOWCASMWCNULKH-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.75
Rot. Bonds1

About 2-amino-6-bromo-4-methoxyphenol

2-amino-6-bromo-4-methoxyphenol (PubChem CID 11171982) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 2-amino-6-bromo-4-methoxyphenol.

Molecular Properties

Compound Name2-amino-6-bromo-4-methoxyphenol
PubChem CID11171982
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name2-amino-6-bromo-4-methoxyphenol
SMILESCOc1cc(N)c(O)c(Br)c1
InChIInChI=1S/C7H8BrNO2/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,9H2,1H3
InChIKeyQOWCASMWCNULKH-UHFFFAOYSA-N
XLogP1.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-methoxyphenol?
The IUPAC name of 2-amino-6-bromo-4-methoxyphenol (CID 11171982) is 2-amino-6-bromo-4-methoxyphenol.
What is the SMILES notation for 2-amino-6-bromo-4-methoxyphenol?
The canonical SMILES for 2-amino-6-bromo-4-methoxyphenol is COc1cc(N)c(O)c(Br)c1.
What is the InChIKey of 2-amino-6-bromo-4-methoxyphenol?
The InChIKey is QOWCASMWCNULKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,9H2,1H3.
What are the key properties of 2-amino-6-bromo-4-methoxyphenol?
2-amino-6-bromo-4-methoxyphenol has a molecular weight of 218.05 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-4-methoxyphenol is sourced from PubChem (CID 11171982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).