7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid

C15H18O4 — CID 114358931

IUPAC7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid
SMILESCCCOc1cccc2c(CCC)c(C(=O)O)oc12
InChIInChI=1S/C15H18O4/c1-3-6-10-11-7-5-8-12(18-9-4-2)13(11)19-14(10)15(16)17/h5,7-8H,3-4,6,9H2,1-2H3,(H,16,17)
InChIKeyLVBTXFKWOJDUAU-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.87
Rot. Bonds6

About 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid

7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid (PubChem CID 114358931) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid
PubChem CID114358931
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid
SMILESCCCOc1cccc2c(CCC)c(C(=O)O)oc12
InChIInChI=1S/C15H18O4/c1-3-6-10-11-7-5-8-12(18-9-4-2)13(11)19-14(10)15(16)17/h5,7-8H,3-4,6,9H2,1-2H3,(H,16,17)
InChIKeyLVBTXFKWOJDUAU-UHFFFAOYSA-N
XLogP3.87
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114376824
1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155106
5,7-dibromo-3-propyl-1-benzofuran-2-carboxylic acid
CID 114359150
5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid
CID 62381402
7-[(dimethylamino)methyl]-3-ethyl-1-benzofuran-2-carboxylic acid
CID 57119528
4-(3-hydroxy-2-propylphenoxy)butanoic acid
CID 67632631
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
2-phenoxy-3-propoxybenzoic acid
CID 67826110
2,6-dipropoxybenzoyl iodide
CID 19912030
6-(3-butoxy-4-hydroxy-2-oxochromen-8-yl)oxyhexanoic acid
CID 174426552
4,5,7-trichloro-3-propyl-1-benzofuran-2-carboxylic acid
CID 63487677

Frequently Asked Questions

What is the IUPAC name of 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid (CID 114358931) is 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid is CCCOc1cccc2c(CCC)c(C(=O)O)oc12.
What is the InChIKey of 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid?
The InChIKey is LVBTXFKWOJDUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-3-6-10-11-7-5-8-12(18-9-4-2)13(11)19-14(10)15(16)17/h5,7-8H,3-4,6,9H2,1-2H3,(H,16,17).
What are the key properties of 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid?
7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid has a molecular weight of 262.30 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 114358931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).