5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid

C13H14O4 — CID 104708339

IUPAC5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
SMILESCCCc1c(C(=O)O)oc2ccc(OC)cc12
InChIInChI=1S/C13H14O4/c1-3-4-9-10-7-8(16-2)5-6-11(10)17-12(9)13(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyZYXVQMWTQSKULH-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.09
Rot. Bonds4

About 5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid

5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid (PubChem CID 104708339) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
PubChem CID104708339
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
SMILESCCCc1c(C(=O)O)oc2ccc(OC)cc12
InChIInChI=1S/C13H14O4/c1-3-4-9-10-7-8(16-2)5-6-11(10)17-12(9)13(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyZYXVQMWTQSKULH-UHFFFAOYSA-N
XLogP3.09
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-(2-methylpropyl)-1-benzofuran-2-carboxylic acid
CID 113443722
5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid
CID 62381402
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
6-methoxy-1,2,3,4-tetrapropylnaphthalene
CID 101211335
methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
CID 70461005
3,5-dimethoxy-2-benzofuran-1-carboxylic acid
CID 70353182
1-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-3,3-dimethylbutan-2-one
CID 11359446
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
CID 166609270
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
CID 131696400
1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10882307

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid (CID 104708339) is 5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid is CCCc1c(C(=O)O)oc2ccc(OC)cc12.
What is the InChIKey of 5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid?
The InChIKey is ZYXVQMWTQSKULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-3-4-9-10-7-8(16-2)5-6-11(10)17-12(9)13(14)15/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid?
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 104708339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).