2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid

C13H14O3 — CID 117204322

IUPAC2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid
SMILESCc1cc2c(C(C)(C)C(=O)O)cccc2o1
InChIInChI=1S/C13H14O3/c1-8-7-9-10(13(2,3)12(14)15)5-4-6-11(9)16-8/h4-7H,1-3H3,(H,14,15)
InChIKeyQGPKHZJDAPMJOD-UHFFFAOYSA-N
MW218.25 g/mol
LogP3.10
Rot. Bonds2

About 2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid

2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid (PubChem CID 117204322) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid
PubChem CID117204322
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid
SMILESCc1cc2c(C(C)(C)C(=O)O)cccc2o1
InChIInChI=1S/C13H14O3/c1-8-7-9-10(13(2,3)12(14)15)5-4-6-11(9)16-8/h4-7H,1-3H3,(H,14,15)
InChIKeyQGPKHZJDAPMJOD-UHFFFAOYSA-N
XLogP3.10
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol
CID 58731139
2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid
CID 117204331
2-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 84734012
2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid
CID 117205205
2-(1H-indol-4-yl)-2-methylpropanoic acid
CID 117119069
tert-butyl-dimethyl-[(2-methyl-1-benzofuran-4-yl)oxy]silane
CID 22595863
2-methyl-2-(3-methyl-1-benzothiophen-7-yl)propanoic acid
CID 117205358
2-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119169
2-(2-methyl-1-benzofuran-4-yl)acetaldehyde
CID 117204227
1-[4-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-one
CID 117194219
2-(1-ethyl-2-methylindol-7-yl)-2-methylpropanoic acid
CID 117205210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid (CID 117204322) is 2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid is Cc1cc2c(C(C)(C)C(=O)O)cccc2o1.
What is the InChIKey of 2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid?
The InChIKey is QGPKHZJDAPMJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-8-7-9-10(13(2,3)12(14)15)5-4-6-11(9)16-8/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid?
2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid has a molecular weight of 218.25 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid is sourced from PubChem (CID 117204322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).