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

C10H10O4 — CID 22628334

IUPAC5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2c(c1)CC(C(=O)O)O2
InChIInChI=1S/C10H10O4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-4,9H,5H2,1H3,(H,11,12)
InChIKeyFAWZPILQQANJKM-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.08
Rot. Bonds2

About 5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid

5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid (PubChem CID 22628334) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
PubChem CID22628334
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2c(c1)CC(C(=O)O)O2
InChIInChI=1S/C10H10O4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-4,9H,5H2,1H3,(H,11,12)
InChIKeyFAWZPILQQANJKM-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 5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid (CID 22628334) is 5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid is COc1ccc2c(c1)CC(C(=O)O)O2.
What is the InChIKey of 5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The InChIKey is FAWZPILQQANJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-4,9H,5H2,1H3,(H,11,12).
What are the key properties of 5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
5-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 5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 22628334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).