5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid

C11H10O5 — CID 45269018

IUPAC5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCOc1cc2oc(C)c(C(=O)O)c2cc1O
InChIInChI=1S/C11H10O5/c1-5-10(11(13)14)6-3-7(12)9(15-2)4-8(6)16-5/h3-4,12H,1-2H3,(H,13,14)
InChIKeyPDAXSSFMRPJCNO-UHFFFAOYSA-N
MW222.20 g/mol
LogP2.15
Rot. Bonds2

About 5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid

5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 45269018) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid
PubChem CID45269018
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCOc1cc2oc(C)c(C(=O)O)c2cc1O
InChIInChI=1S/C11H10O5/c1-5-10(11(13)14)6-3-7(12)9(15-2)4-8(6)16-5/h3-4,12H,1-2H3,(H,13,14)
InChIKeyPDAXSSFMRPJCNO-UHFFFAOYSA-N
XLogP2.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid
CID 121472735
6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
CID 22143529
ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate
CID 45271515
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
5-amino-2-methyl-1-benzofuran-3-carboxylic acid
CID 130670349
6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 122392454
3-butyl-6-hydroxy-7-methoxy-4-methylchromen-2-one
CID 19927645
ethane;ethyl 5-hydroxy-2,6-dimethyl-1-benzofuran-3-carboxylate
CID 163379939
2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate
CID 4104299
ethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 687106
5-[(1S)-1-carboxyethoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 854526
6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid
CID 53231247

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid (CID 45269018) is 5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid is COc1cc2oc(C)c(C(=O)O)c2cc1O.
What is the InChIKey of 5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is PDAXSSFMRPJCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-5-10(11(13)14)6-3-7(12)9(15-2)4-8(6)16-5/h3-4,12H,1-2H3,(H,13,14).
What are the key properties of 5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid?
5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 45269018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).