1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid

C15H16O4 — CID 82665807

IUPAC1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc2cc(C3(C(=O)O)CCCC3)oc2c1
InChIInChI=1S/C15H16O4/c1-18-11-5-4-10-8-13(19-12(10)9-11)15(14(16)17)6-2-3-7-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyQQQFAPGMNYVTIV-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.34
Rot. Bonds3

About 1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid

1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 82665807) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid
PubChem CID82665807
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc2cc(C3(C(=O)O)CCCC3)oc2c1
InChIInChI=1S/C15H16O4/c1-18-11-5-4-10-8-13(19-12(10)9-11)15(14(16)17)6-2-3-7-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyQQQFAPGMNYVTIV-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-methyl-1-benzofuran-6-yl)cyclohexane-1-carboxylic acid
CID 117399405
1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid
CID 82665804
3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid
CID 116871824
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428766
1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117465530
N-(6-methoxy-1-benzofuran-2-yl)acetamide
CID 173334663
1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 46236390
1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393686
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
3-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
CID 10869021
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 11012943

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid (CID 82665807) is 1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid is COc1ccc2cc(C3(C(=O)O)CCCC3)oc2c1.
What is the InChIKey of 1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is QQQFAPGMNYVTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-18-11-5-4-10-8-13(19-12(10)9-11)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-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid?
1-(6-methoxy-1-benzofuran-2-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-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82665807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).