3-amino-5-methoxyphenol

C7H9NO2 — CID 11953516

IUPAC3-amino-5-methoxyphenol
SMILESCOc1cc(N)cc(O)c1
InChIInChI=1S/C7H9NO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,8H2,1H3
InChIKeyILTCFIIXWWUIPC-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.98
Rot. Bonds1

About 3-amino-5-methoxyphenol

3-amino-5-methoxyphenol (PubChem CID 11953516) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-amino-5-methoxyphenol.

Molecular Properties

Compound Name3-amino-5-methoxyphenol
PubChem CID11953516
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-amino-5-methoxyphenol
SMILESCOc1cc(N)cc(O)c1
InChIInChI=1S/C7H9NO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,8H2,1H3
InChIKeyILTCFIIXWWUIPC-UHFFFAOYSA-N
XLogP0.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxyphenol?
The IUPAC name of 3-amino-5-methoxyphenol (CID 11953516) is 3-amino-5-methoxyphenol.
What is the SMILES notation for 3-amino-5-methoxyphenol?
The canonical SMILES for 3-amino-5-methoxyphenol is COc1cc(N)cc(O)c1.
What is the InChIKey of 3-amino-5-methoxyphenol?
The InChIKey is ILTCFIIXWWUIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,8H2,1H3.
What are the key properties of 3-amino-5-methoxyphenol?
3-amino-5-methoxyphenol has a molecular weight of 139.15 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxyphenol is sourced from PubChem (CID 11953516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).