6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid

C11H11NO4 — CID 84686462

IUPAC6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid
SMILESCOc1c(N)cc(C(=O)O)c2cc(C)oc12
InChIInChI=1S/C11H11NO4/c1-5-3-6-7(11(13)14)4-8(12)10(15-2)9(6)16-5/h3-4H,12H2,1-2H3,(H,13,14)
InChIKeyUZIYPXYTIBKSMG-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.03
Rot. Bonds2

About 6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid

6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid (PubChem CID 84686462) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid
PubChem CID84686462
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid
SMILESCOc1c(N)cc(C(=O)O)c2cc(C)oc12
InChIInChI=1S/C11H11NO4/c1-5-3-6-7(11(13)14)4-8(12)10(15-2)9(6)16-5/h3-4H,12H2,1-2H3,(H,13,14)
InChIKeyUZIYPXYTIBKSMG-UHFFFAOYSA-N
XLogP2.03
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-3,4-dimethoxybenzoic acid
CID 84680796
2-(hydroxymethyl)-6,7-dimethoxy-1-benzofuran-4-carboxylic acid
CID 22180864
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
3-amino-4-methoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 84686649
7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid
CID 84685476
3-amino-2-methoxy-5-nitrobenzoic acid
CID 131861934
3-amino-5-ethylsulfonyl-2-methoxybenzoic acid
CID 141307254
6-amino-2-methyl-1-benzofuran-7-carboxylic acid
CID 163960156
4-amino-5-iodo-2-methoxy-3-methylbenzoic acid
CID 174669723
4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid
CID 83892625
3-amino-5-chloro-2,4-dimethoxybenzoic acid
CID 84695063

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid?
The IUPAC name of 6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid (CID 84686462) is 6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for 6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid?
The canonical SMILES for 6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid is COc1c(N)cc(C(=O)O)c2cc(C)oc12.
What is the InChIKey of 6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid?
The InChIKey is UZIYPXYTIBKSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-5-3-6-7(11(13)14)4-8(12)10(15-2)9(6)16-5/h3-4H,12H2,1-2H3,(H,13,14).
What are the key properties of 6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid?
6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid is sourced from PubChem (CID 84686462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).