1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid

C15H16O4 — CID 82665804

IUPAC1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc2occ(C3(C(=O)O)CCCC3)c2c1
InChIInChI=1S/C15H16O4/c1-18-10-4-5-13-11(8-10)12(9-19-13)15(14(16)17)6-2-3-7-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyRUCOBMOHHDXPKZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.34
Rot. Bonds3

About 1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid

1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 82665804) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid
PubChem CID82665804
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc2occ(C3(C(=O)O)CCCC3)c2c1
InChIInChI=1S/C15H16O4/c1-18-10-4-5-13-11(8-10)12(9-19-13)15(14(16)17)6-2-3-7-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyRUCOBMOHHDXPKZ-UHFFFAOYSA-N
XLogP3.34
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428766
1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117465530
1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid
CID 82665807
1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393688
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117313804
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117415085
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117445897
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117357088
1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446109
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid (CID 82665804) is 1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid is COc1ccc2occ(C3(C(=O)O)CCCC3)c2c1.
What is the InChIKey of 1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is RUCOBMOHHDXPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-18-10-4-5-13-11(8-10)12(9-19-13)15(14(16)17)6-2-3-7-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid?
1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82665804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).