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

C10H10O3 — CID 19098421

IUPAC2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)COC2
InChIInChI=1S/C10H10O3/c11-10(12)4-7-1-2-8-5-13-6-9(8)3-7/h1-3H,4-6H2,(H,11,12)
InChIKeyLBKSMTNZFNZDPQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.34
Rot. Bonds2

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

2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid (PubChem CID 19098421) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid
PubChem CID19098421
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)COC2
InChIInChI=1S/C10H10O3/c11-10(12)4-7-1-2-8-5-13-6-9(8)3-7/h1-3H,4-6H2,(H,11,12)
InChIKeyLBKSMTNZFNZDPQ-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid (CID 19098421) is 2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid is O=C(O)Cc1ccc2c(c1)COC2.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid?
The InChIKey is LBKSMTNZFNZDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-10(12)4-7-1-2-8-5-13-6-9(8)3-7/h1-3H,4-6H2,(H,11,12).
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid?
2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid has a molecular weight of 178.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid is sourced from PubChem (CID 19098421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).