7-ethyl-1-benzofuran-5-carboxylic acid

C11H10O3 — CID 83817922

IUPAC7-ethyl-1-benzofuran-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2ccoc12
InChIInChI=1S/C11H10O3/c1-2-7-5-9(11(12)13)6-8-3-4-14-10(7)8/h3-6H,2H2,1H3,(H,12,13)
InChIKeyZJRUNPBJJVWQQO-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.69
Rot. Bonds2

About 7-ethyl-1-benzofuran-5-carboxylic acid

7-ethyl-1-benzofuran-5-carboxylic acid (PubChem CID 83817922) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-ethyl-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-1-benzofuran-5-carboxylic acid
PubChem CID83817922
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name7-ethyl-1-benzofuran-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2ccoc12
InChIInChI=1S/C11H10O3/c1-2-7-5-9(11(12)13)6-8-3-4-14-10(7)8/h3-6H,2H2,1H3,(H,12,13)
InChIKeyZJRUNPBJJVWQQO-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

2-(5-bromo-1-benzofuran-7-yl)acetic acid
CID 83900977
methyl 7-(2-aminopropyl)-1-benzofuran-5-carboxylate;oxalic acid
CID 22144942
7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide
CID 87923070
ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate
CID 58820000
2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid
CID 21268723
1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one
CID 22144910
7-bromo-5-ethyl-1-benzofuran
CID 84689558
5-acetyl-1-benzofuran-7-carbaldehyde
CID 21220947
4-chloro-3-ethylbenzoic acid
CID 21412279
2-[[1-(1-benzofuran-7-ylmethyl)piperidin-4-yl]-ethylamino]acetic acid
CID 122043096
3-(2-ethylfuran-3-yl)-5-fluorobenzoic acid
CID 164526975
tert-butyl 4-[(5-nitro-1-benzofuran-7-yl)methyl]piperazine-1-carboxylate
CID 66893515

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-benzofuran-5-carboxylic acid?
The IUPAC name of 7-ethyl-1-benzofuran-5-carboxylic acid (CID 83817922) is 7-ethyl-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 7-ethyl-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 7-ethyl-1-benzofuran-5-carboxylic acid is CCc1cc(C(=O)O)cc2ccoc12.
What is the InChIKey of 7-ethyl-1-benzofuran-5-carboxylic acid?
The InChIKey is ZJRUNPBJJVWQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-7-5-9(11(12)13)6-8-3-4-14-10(7)8/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 7-ethyl-1-benzofuran-5-carboxylic acid?
7-ethyl-1-benzofuran-5-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 7-ethyl-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 83817922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).