1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid

C14H16O4 — CID 117373202

IUPAC1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CCC2)cc2c1OCC2
InChIInChI=1S/C14H16O4/c1-17-11-8-10(7-9-3-6-18-12(9)11)14(13(15)16)4-2-5-14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyVIURZOVENXVRAB-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.14
Rot. Bonds3

About 1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid

1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid (PubChem CID 117373202) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
PubChem CID117373202
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CCC2)cc2c1OCC2
InChIInChI=1S/C14H16O4/c1-17-11-8-10(7-9-3-6-18-12(9)11)14(13(15)16)4-2-5-14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyVIURZOVENXVRAB-UHFFFAOYSA-N
XLogP2.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 117297220
1-(3-hydroxy-4,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383430
1-(3-fluoro-4-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117352802
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389837
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(3-methoxy-4-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117457835
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117284527
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117445897
1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid (CID 117373202) is 1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid is COc1cc(C2(C(=O)O)CCC2)cc2c1OCC2.
What is the InChIKey of 1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid?
The InChIKey is VIURZOVENXVRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-17-11-8-10(7-9-3-6-18-12(9)11)14(13(15)16)4-2-5-14/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid?
1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117373202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).