2-(6-ethyl-1-benzofuran-3-yl)acetic acid

C12H12O3 — CID 2393677

IUPAC2-(6-ethyl-1-benzofuran-3-yl)acetic acid
SMILESCCc1ccc2c(CC(=O)O)coc2c1
InChIInChI=1S/C12H12O3/c1-2-8-3-4-10-9(6-12(13)14)7-15-11(10)5-8/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKeyMOTXOTFUYMRIER-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.62
Rot. Bonds3

About 2-(6-ethyl-1-benzofuran-3-yl)acetic acid

2-(6-ethyl-1-benzofuran-3-yl)acetic acid (PubChem CID 2393677) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(6-ethyl-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-ethyl-1-benzofuran-3-yl)acetic acid
PubChem CID2393677
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2-(6-ethyl-1-benzofuran-3-yl)acetic acid
SMILESCCc1ccc2c(CC(=O)O)coc2c1
InChIInChI=1S/C12H12O3/c1-2-8-3-4-10-9(6-12(13)14)7-15-11(10)5-8/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKeyMOTXOTFUYMRIER-UHFFFAOYSA-N
XLogP2.62
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
6-ethyl-1-benzofuran-3-carboxylic acid
CID 155722437
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487
2-(6-ethyl-1-benzofuran-3-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18110361
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
CID 9470559
N-(2,3-dihydro-1H-inden-1-yl)-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 18103846
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18116195
1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8766155
6-ethyl-3-methyl-1-benzofuran
CID 45122551
1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one
CID 155207613

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(6-ethyl-1-benzofuran-3-yl)acetic acid (CID 2393677) is 2-(6-ethyl-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(6-ethyl-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(6-ethyl-1-benzofuran-3-yl)acetic acid is CCc1ccc2c(CC(=O)O)coc2c1.
What is the InChIKey of 2-(6-ethyl-1-benzofuran-3-yl)acetic acid?
The InChIKey is MOTXOTFUYMRIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-8-3-4-10-9(6-12(13)14)7-15-11(10)5-8/h3-5,7H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(6-ethyl-1-benzofuran-3-yl)acetic acid?
2-(6-ethyl-1-benzofuran-3-yl)acetic acid has a molecular weight of 204.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 2393677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).