4-propan-2-yloxy-1-benzofuran-2-carboxylic acid

C12H12O4 — CID 68711544

IUPAC4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
SMILESCC(C)Oc1cccc2oc(C(=O)O)cc12
InChIInChI=1S/C12H12O4/c1-7(2)15-9-4-3-5-10-8(9)6-11(16-10)12(13)14/h3-7H,1-2H3,(H,13,14)
InChIKeySJZXWJXXYDBPHV-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.92
Rot. Bonds3

About 4-propan-2-yloxy-1-benzofuran-2-carboxylic acid

4-propan-2-yloxy-1-benzofuran-2-carboxylic acid (PubChem CID 68711544) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
PubChem CID68711544
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
SMILESCC(C)Oc1cccc2oc(C(=O)O)cc12
InChIInChI=1S/C12H12O4/c1-7(2)15-9-4-3-5-10-8(9)6-11(16-10)12(13)14/h3-7H,1-2H3,(H,13,14)
InChIKeySJZXWJXXYDBPHV-UHFFFAOYSA-N
XLogP2.92
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-di(propan-2-yloxy)-1-benzofuran-2-carboxylic acid
CID 172769354
4-(3-methylsulfonylpropoxy)-1-benzofuran-2-carboxylic acid
CID 142499875
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
4-oxo-5-sulfanylchromene-2-carboxylic acid
CID 13230877
1-[4-(3-hydroxypropoxy)-1-benzofuran-2-yl]ethanone
CID 142029220
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602
propan-2-yl 4-chloro-1-benzofuran-2-carboxylate
CID 135395825
4-propan-2-yloxy-1-benzofuran
CID 68788950
methyl 4-(3-hydroxypropoxy)-1-benzofuran-2-carboxylate
CID 142029288
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-(2-methylpropanoyloxy)propoxy]-4-oxochromene-2-carboxylic acid
CID 170409290
sodium;5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid;hydride
CID 132968098
[2,3-di(propan-2-yloxy)phenyl] acetate
CID 19833391

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-propan-2-yloxy-1-benzofuran-2-carboxylic acid (CID 68711544) is 4-propan-2-yloxy-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-propan-2-yloxy-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-propan-2-yloxy-1-benzofuran-2-carboxylic acid is CC(C)Oc1cccc2oc(C(=O)O)cc12.
What is the InChIKey of 4-propan-2-yloxy-1-benzofuran-2-carboxylic acid?
The InChIKey is SJZXWJXXYDBPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-7(2)15-9-4-3-5-10-8(9)6-11(16-10)12(13)14/h3-7H,1-2H3,(H,13,14).
What are the key properties of 4-propan-2-yloxy-1-benzofuran-2-carboxylic acid?
4-propan-2-yloxy-1-benzofuran-2-carboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 68711544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).