2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid

C10H10O4 — CID 4873040

IUPAC2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid
SMILESO=C(O)CC1OCc2c(O)cccc21
InChIInChI=1S/C10H10O4/c11-8-3-1-2-6-7(8)5-14-9(6)4-10(12)13/h1-3,9,11H,4-5H2,(H,12,13)
InChIKeyWDZMAKLDQJGEFI-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid

2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid (PubChem CID 4873040) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid
PubChem CID4873040
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid
SMILESO=C(O)CC1OCc2c(O)cccc21
InChIInChI=1S/C10H10O4/c11-8-3-1-2-6-7(8)5-14-9(6)4-10(12)13/h1-3,9,11H,4-5H2,(H,12,13)
InChIKeyWDZMAKLDQJGEFI-UHFFFAOYSA-N
XLogP1.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid (CID 4873040) is 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid is O=C(O)CC1OCc2c(O)cccc21.
What is the InChIKey of 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid?
The InChIKey is WDZMAKLDQJGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-8-3-1-2-6-7(8)5-14-9(6)4-10(12)13/h1-3,9,11H,4-5H2,(H,12,13).
What are the key properties of 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid?
2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid has a molecular weight of 194.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)acetic acid is sourced from PubChem (CID 4873040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).