4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid

C12H10O3 — CID 68713889

IUPAC4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid
SMILESC=Cc1cccc2oc(C(=O)O)c(C)c12
InChIInChI=1S/C12H10O3/c1-3-8-5-4-6-9-10(8)7(2)11(15-9)12(13)14/h3-6H,1H2,2H3,(H,13,14)
InChIKeyGSMPPYDZTKZLPV-UHFFFAOYSA-N
MW202.21 g/mol
LogP3.08
Rot. Bonds2

About 4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid

4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 68713889) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID68713889
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid
SMILESC=Cc1cccc2oc(C(=O)O)c(C)c12
InChIInChI=1S/C12H10O3/c1-3-8-5-4-6-9-10(8)7(2)11(15-9)12(13)14/h3-6H,1H2,2H3,(H,13,14)
InChIKeyGSMPPYDZTKZLPV-UHFFFAOYSA-N
XLogP3.08
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid (CID 68713889) is 4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid is C=Cc1cccc2oc(C(=O)O)c(C)c12.
What is the InChIKey of 4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is GSMPPYDZTKZLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-3-8-5-4-6-9-10(8)7(2)11(15-9)12(13)14/h3-6H,1H2,2H3,(H,13,14).
What are the key properties of 4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid?
4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 68713889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).