4-amino-3-methyl-1-benzofuran-5-ol

C9H9NO2 — CID 82415187

IUPAC4-amino-3-methyl-1-benzofuran-5-ol
SMILESCc1coc2ccc(O)c(N)c12
InChIInChI=1S/C9H9NO2/c1-5-4-12-7-3-2-6(11)9(10)8(5)7/h2-4,11H,10H2,1H3
InChIKeyCPBOXHYXOKNKAV-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.03
Rot. Bonds

About 4-amino-3-methyl-1-benzofuran-5-ol

4-amino-3-methyl-1-benzofuran-5-ol (PubChem CID 82415187) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-amino-3-methyl-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-amino-3-methyl-1-benzofuran-5-ol
PubChem CID82415187
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-amino-3-methyl-1-benzofuran-5-ol
SMILESCc1coc2ccc(O)c(N)c12
InChIInChI=1S/C9H9NO2/c1-5-4-12-7-3-2-6(11)9(10)8(5)7/h2-4,11H,10H2,1H3
InChIKeyCPBOXHYXOKNKAV-UHFFFAOYSA-N
XLogP2.03
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.03
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 4-amino-3-methyl-1-benzofuran-5-ol?
The IUPAC name of 4-amino-3-methyl-1-benzofuran-5-ol (CID 82415187) is 4-amino-3-methyl-1-benzofuran-5-ol.
What is the SMILES notation for 4-amino-3-methyl-1-benzofuran-5-ol?
The canonical SMILES for 4-amino-3-methyl-1-benzofuran-5-ol is Cc1coc2ccc(O)c(N)c12.
What is the InChIKey of 4-amino-3-methyl-1-benzofuran-5-ol?
The InChIKey is CPBOXHYXOKNKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-5-4-12-7-3-2-6(11)9(10)8(5)7/h2-4,11H,10H2,1H3.
What are the key properties of 4-amino-3-methyl-1-benzofuran-5-ol?
4-amino-3-methyl-1-benzofuran-5-ol has a molecular weight of 163.18 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-benzofuran-5-ol is sourced from PubChem (CID 82415187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).