5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

C11H12O3 — CID 10058395

IUPAC5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
SMILESCCc1cc2c(c(C(=O)O)c1)OCC2
InChIInChI=1S/C11H12O3/c1-2-7-5-8-3-4-14-10(8)9(6-7)11(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyCBEHCCOHAWHFCL-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.88
Rot. Bonds2

About 5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid (PubChem CID 10058395) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
PubChem CID10058395
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
SMILESCCc1cc2c(c(C(=O)O)c1)OCC2
InChIInChI=1S/C11H12O3/c1-2-7-5-8-3-4-14-10(8)9(6-7)11(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyCBEHCCOHAWHFCL-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methylphenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 69166433
butane;5-ethyl-7-fluoro-2,3-dihydro-1-benzofuran
CID 143668070
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 155970776
5-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 69167894
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83886439
2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 117297220
3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol
CID 70846960
3-(7-tert-butyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 53312471
5-(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2,5-dimethylhexan-2-ol
CID 143024611

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid?
The IUPAC name of 5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid (CID 10058395) is 5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid is CCc1cc2c(c(C(=O)O)c1)OCC2.
What is the InChIKey of 5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid?
The InChIKey is CBEHCCOHAWHFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-7-5-8-3-4-14-10(8)9(6-7)11(12)13/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid?
5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 10058395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).