2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid

C11H10O4 — CID 67811106

IUPAC2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid
SMILESCc1cc(O)cc2occ(CC(=O)O)c12
InChIInChI=1S/C11H10O4/c1-6-2-8(12)4-9-11(6)7(5-15-9)3-10(13)14/h2,4-5,12H,3H2,1H3,(H,13,14)
InChIKeyJPAGOJANYKKYTI-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.07
Rot. Bonds2

About 2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid

2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid (PubChem CID 67811106) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid
PubChem CID67811106
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid
SMILESCc1cc(O)cc2occ(CC(=O)O)c12
InChIInChI=1S/C11H10O4/c1-6-2-8(12)4-9-11(6)7(5-15-9)3-10(13)14/h2,4-5,12H,3H2,1H3,(H,13,14)
InChIKeyJPAGOJANYKKYTI-UHFFFAOYSA-N
XLogP2.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-hydroxy-4-methyl-1-benzofuran-3-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-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid (CID 67811106) is 2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid is Cc1cc(O)cc2occ(CC(=O)O)c12.
What is the InChIKey of 2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid?
The InChIKey is JPAGOJANYKKYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-6-2-8(12)4-9-11(6)7(5-15-9)3-10(13)14/h2,4-5,12H,3H2,1H3,(H,13,14).
What are the key properties of 2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid?
2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid has a molecular weight of 206.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 67811106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).