1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid

C14H16O4 — CID 117373348

IUPAC1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid
SMILESCOc1c(C)cc2c(c1C1(C(=O)O)CC1)CCO2
InChIInChI=1S/C14H16O4/c1-8-7-10-9(3-6-18-10)11(12(8)17-2)14(4-5-14)13(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyYHGZKGFGEDTZBK-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.05
Rot. Bonds3

About 1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid

1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 117373348) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid
PubChem CID117373348
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid
SMILESCOc1c(C)cc2c(c1C1(C(=O)O)CC1)CCO2
InChIInChI=1S/C14H16O4/c1-8-7-10-9(3-6-18-10)11(12(8)17-2)14(4-5-14)13(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyYHGZKGFGEDTZBK-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799157
3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117439841
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117389831
1-(3-hydroxy-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117317663
1-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117394902
1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxylic acid
CID 117495294
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxylic acid
CID 117442442
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid
CID 116986324
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
CID 117414944
1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117415227
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117445897

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid (CID 117373348) is 1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid is COc1c(C)cc2c(c1C1(C(=O)O)CC1)CCO2.
What is the InChIKey of 1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is YHGZKGFGEDTZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-8-7-10-9(3-6-18-10)11(12(8)17-2)14(4-5-14)13(15)16/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid?
1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117373348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).