6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid

C10H10O4 — CID 10997882

IUPAC6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2c(c1)OC(C(=O)O)C2
InChIInChI=1S/C10H10O4/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-3,5,9H,4H2,1H3,(H,11,12)
InChIKeyZYQCKPKFAFHUSJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.08
Rot. Bonds2

About 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid

6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid (PubChem CID 10997882) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
PubChem CID10997882
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2c(c1)OC(C(=O)O)C2
InChIInChI=1S/C10H10O4/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-3,5,9H,4H2,1H3,(H,11,12)
InChIKeyZYQCKPKFAFHUSJ-UHFFFAOYSA-N
XLogP1.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid (CID 10997882) is 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid is COc1ccc2c(c1)OC(C(=O)O)C2.
What is the InChIKey of 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The InChIKey is ZYQCKPKFAFHUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-3,5,9H,4H2,1H3,(H,11,12).
What are the key properties of 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 10997882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).