2-(1-benzofuran-3-yl)-2-methylpropanoic acid

C12H12O3 — CID 84734012

IUPAC2-(1-benzofuran-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1coc2ccccc12
InChIInChI=1S/C12H12O3/c1-12(2,11(13)14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,14)
InChIKeyFVADGEWLBXWTEY-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.80
Rot. Bonds2

About 2-(1-benzofuran-3-yl)-2-methylpropanoic acid

2-(1-benzofuran-3-yl)-2-methylpropanoic acid (PubChem CID 84734012) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-2-methylpropanoic acid
PubChem CID84734012
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name2-(1-benzofuran-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1coc2ccccc12
InChIInChI=1S/C12H12O3/c1-12(2,11(13)14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,14)
InChIKeyFVADGEWLBXWTEY-UHFFFAOYSA-N
XLogP2.80
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzofuran-3-yl)-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide
CID 116848268
1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea
CID 57028878
2-(7-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117123001
2-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119169
[2-(1-benzofuran-3-yl)-2-methylpropyl]urea
CID 115168850
(2S)-2-amino-3-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 121229043
2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide
CID 115151866
3-[1-benzofuran-3-yl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164001
2-methyl-2-(3-phenyl-1-benzofuran-7-yl)propanoic acid
CID 21319886
N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide
CID 116829523
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418
1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea
CID 88512065

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-benzofuran-3-yl)-2-methylpropanoic acid (CID 84734012) is 2-(1-benzofuran-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-benzofuran-3-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)-2-methylpropanoic acid?
The InChIKey is FVADGEWLBXWTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-12(2,11(13)14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,14).
What are the key properties of 2-(1-benzofuran-3-yl)-2-methylpropanoic acid?
2-(1-benzofuran-3-yl)-2-methylpropanoic acid has a molecular weight of 204.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84734012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).