2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid

C13H10O4 — CID 115010460

IUPAC2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid
SMILESCc1cc2c(C(=O)O)c3oc(C)cc3cc2o1
InChIInChI=1S/C13H10O4/c1-6-3-8-5-10-9(4-7(2)16-10)11(13(14)15)12(8)17-6/h3-5H,1-2H3,(H,14,15)
InChIKeyUBOWKJPDNCVJGR-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.49
Rot. Bonds1

About 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid

2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid (PubChem CID 115010460) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid
PubChem CID115010460
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid
SMILESCc1cc2c(C(=O)O)c3oc(C)cc3cc2o1
InChIInChI=1S/C13H10O4/c1-6-3-8-5-10-9(4-7(2)16-10)11(13(14)15)12(8)17-6/h3-5H,1-2H3,(H,14,15)
InChIKeyUBOWKJPDNCVJGR-UHFFFAOYSA-N
XLogP3.49
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 5-hydroxy-2-methyl-3-benzofurancarboxylate
CID 81704
2-(6,7-Dimethyl-1-benzofuran-3-yl)acetic acid
CID 2113901
2-(5H,6H,7H-indeno(5,6-b)furan-3-yl)acetic acid
CID 2394017
Ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
CID 624750
Bis(5-hydroxybenzo[b]furan-2-yl)methanone
CID 13454380
Bis(5-acetoxybenzo[b]furan-2-yl)methanone
CID 13471348
2-[6-(4-Hydroxy-3-propan-2-ylphenoxy)-5,7-dimethyl-1-benzofuran-3-yl]acetic acid
CID 22228621
5-hydroxy-6-(3-methylbut-2-en-1-yl)-2-[(1E)-pent-1-en-1-yl]-1-benzofuran-4-carbaldehyde
CID 44559107
2-Methyl-5-[(2-methylphenyl)methoxy]-1-benzofuran-3-carboxylic acid
CID 702034
5-[(2-Fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 708273
Ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 803446
Furomollugin
CID 10354359

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid?
The IUPAC name of 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid (CID 115010460) is 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid.
What is the SMILES notation for 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid?
The canonical SMILES for 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid is Cc1cc2c(C(=O)O)c3oc(C)cc3cc2o1.
What is the InChIKey of 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid?
The InChIKey is UBOWKJPDNCVJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c1-6-3-8-5-10-9(4-7(2)16-10)11(13(14)15)12(8)17-6/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid?
2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid is sourced from PubChem (CID 115010460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).