2,3-dihydro-1-benzofuran-7-carboxylic acid

C9H8O3 — CID 2795014

IUPAC2,3-dihydro-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cccc2c1OCC2
InChIInChI=1S/C9H8O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2,(H,10,11)
InChIKeyUHXBMSNEECJPSX-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.32
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-7-carboxylic acid

2,3-dihydro-1-benzofuran-7-carboxylic acid (PubChem CID 2795014) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-carboxylic acid
PubChem CID2795014
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name2,3-dihydro-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cccc2c1OCC2
InChIInChI=1S/C9H8O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2,(H,10,11)
InChIKeyUHXBMSNEECJPSX-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-carboxylic acid?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-carboxylic acid (CID 2795014) is 2,3-dihydro-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-carboxylic acid is O=C(O)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-carboxylic acid?
The InChIKey is UHXBMSNEECJPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2,(H,10,11).
What are the key properties of 2,3-dihydro-1-benzofuran-7-carboxylic acid?
2,3-dihydro-1-benzofuran-7-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 2795014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).