3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid

C15H16O4 — CID 117404625

IUPAC3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid
SMILESCOc1cc(C(CC(=O)O)C2CC2)cc2ccoc12
InChIInChI=1S/C15H16O4/c1-18-13-7-11(6-10-4-5-19-15(10)13)12(8-14(16)17)9-2-3-9/h4-7,9,12H,2-3,8H2,1H3,(H,16,17)
InChIKeyQCUMXPOHADKGHL-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.41
Rot. Bonds5

About 3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid

3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid (PubChem CID 117404625) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid
PubChem CID117404625
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid
SMILESCOc1cc(C(CC(=O)O)C2CC2)cc2ccoc12
InChIInChI=1S/C15H16O4/c1-18-13-7-11(6-10-4-5-19-15(10)13)12(8-14(16)17)9-2-3-9/h4-7,9,12H,2-3,8H2,1H3,(H,16,17)
InChIKeyQCUMXPOHADKGHL-UHFFFAOYSA-N
XLogP3.41
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-cyclopropyl-3-[4-hydroxy-3-methoxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117489469
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
CID 117469302
3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
CID 117348798
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
5-(2-carboxy-1-cyclopropylethyl)-2,4-dimethoxybenzoic acid
CID 117474720
3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
CID 117405507

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid (CID 117404625) is 3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid is COc1cc(C(CC(=O)O)C2CC2)cc2ccoc12.
What is the InChIKey of 3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid?
The InChIKey is QCUMXPOHADKGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-18-13-7-11(6-10-4-5-19-15(10)13)12(8-14(16)17)9-2-3-9/h4-7,9,12H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid?
3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid is sourced from PubChem (CID 117404625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).