6-ethyl-1-benzofuran-3-carboxylic acid

C11H10O3 — CID 155722437

IUPAC6-ethyl-1-benzofuran-3-carboxylic acid
SMILESCCc1ccc2c(C(=O)O)coc2c1
InChIInChI=1S/C11H10O3/c1-2-7-3-4-8-9(11(12)13)6-14-10(8)5-7/h3-6H,2H2,1H3,(H,12,13)
InChIKeyMNMAYZPGUCSKJO-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.69
Rot. Bonds2

About 6-ethyl-1-benzofuran-3-carboxylic acid

6-ethyl-1-benzofuran-3-carboxylic acid (PubChem CID 155722437) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 6-ethyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-1-benzofuran-3-carboxylic acid
PubChem CID155722437
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name6-ethyl-1-benzofuran-3-carboxylic acid
SMILESCCc1ccc2c(C(=O)O)coc2c1
InChIInChI=1S/C11H10O3/c1-2-7-3-4-8-9(11(12)13)6-14-10(8)5-7/h3-6H,2H2,1H3,(H,12,13)
InChIKeyMNMAYZPGUCSKJO-UHFFFAOYSA-N
XLogP2.69
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one
CID 155207613
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
6-bromo-1-benzofuran-3-carboxylic acid
CID 71743436
6-ethyl-3-methyl-1-benzofuran
CID 45122551
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
5,6-dimethyl-1-benzofuran-3-carboxylic acid
CID 75458261
6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid
CID 123770863
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439
1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone
CID 137330480
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
2-(6-ethyl-1-benzofuran-3-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18110361

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 6-ethyl-1-benzofuran-3-carboxylic acid (CID 155722437) is 6-ethyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 6-ethyl-1-benzofuran-3-carboxylic acid is CCc1ccc2c(C(=O)O)coc2c1.
What is the InChIKey of 6-ethyl-1-benzofuran-3-carboxylic acid?
The InChIKey is MNMAYZPGUCSKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-7-3-4-8-9(11(12)13)6-14-10(8)5-7/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 6-ethyl-1-benzofuran-3-carboxylic acid?
6-ethyl-1-benzofuran-3-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 155722437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).