5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid

C14H10O4 — CID 82387162

IUPAC5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid
SMILESCc1cc2cc(-c3cc(C(=O)O)co3)ccc2o1
InChIInChI=1S/C14H10O4/c1-8-4-10-5-9(2-3-12(10)18-8)13-6-11(7-17-13)14(15)16/h2-7H,1H3,(H,15,16)
InChIKeyAKSDXZZPTCDGGV-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.70
Rot. Bonds2

About 5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid

5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid (PubChem CID 82387162) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid
PubChem CID82387162
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid
SMILESCc1cc2cc(-c3cc(C(=O)O)co3)ccc2o1
InChIInChI=1S/C14H10O4/c1-8-4-10-5-9(2-3-12(10)18-8)13-6-11(7-17-13)14(15)16/h2-7H,1H3,(H,15,16)
InChIKeyAKSDXZZPTCDGGV-UHFFFAOYSA-N
XLogP3.70
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid?
The IUPAC name of 5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid (CID 82387162) is 5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid is Cc1cc2cc(-c3cc(C(=O)O)co3)ccc2o1.
What is the InChIKey of 5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid?
The InChIKey is AKSDXZZPTCDGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-8-4-10-5-9(2-3-12(10)18-8)13-6-11(7-17-13)14(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid?
5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid is sourced from PubChem (CID 82387162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).