2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid

C10H10O3 — CID 2737455

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C10H10O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-2,5H,3-4,6H2,(H,11,12)
InChIKeyLALSYIKKTXUSLG-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.25
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid

2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid (PubChem CID 2737455) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
PubChem CID2737455
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C10H10O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-2,5H,3-4,6H2,(H,11,12)
InChIKeyLALSYIKKTXUSLG-UHFFFAOYSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid (CID 2737455) is 2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid is O=C(O)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The InChIKey is LALSYIKKTXUSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-2,5H,3-4,6H2,(H,11,12).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid has a molecular weight of 178.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid is sourced from PubChem (CID 2737455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).