2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate

C25H28O7 — CID 71279279

IUPAC2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
SMILESCOc1ccc(-c2cccc3c2COC3=O)c(OCC2(C(=O)OCC(C)C)CC2)c1OC
InChIInChI=1S/C25H28O7/c1-15(2)12-31-24(27)25(10-11-25)14-32-21-17(8-9-20(28-3)22(21)29-4)16-6-5-7-18-19(16)13-30-23(18)26/h5-9,15H,10-14H2,1-4H3
InChIKeyJSUUDLPIPQMRMU-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.40
Rot. Bonds9

About 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate

2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate (PubChem CID 71279279) has the molecular formula C25H28O7 and a molecular weight of 440.49 g/mol. Its IUPAC name is 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
PubChem CID71279279
Molecular FormulaC25H28O7
Molecular Weight440.49 g/mol
Exact Mass440.18
IUPAC Name2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
SMILESCOc1ccc(-c2cccc3c2COC3=O)c(OCC2(C(=O)OCC(C)C)CC2)c1OC
InChIInChI=1S/C25H28O7/c1-15(2)12-31-24(27)25(10-11-25)14-32-21-17(8-9-20(28-3)22(21)29-4)16-6-5-7-18-19(16)13-30-23(18)26/h5-9,15H,10-14H2,1-4H3
InChIKeyJSUUDLPIPQMRMU-UHFFFAOYSA-N
XLogP4.40
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclobutane-1-carboxylate
CID 67467326
2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]ethyl 3-methylbutanoate
CID 71279884
[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate
CID 71287940
2-[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl]-2-methylpropanoic acid
CID 71279646
propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
CID 67467097
5-[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl]pentanoic acid
CID 71279682
ethyl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclobutane-1-carboxylate
CID 67467161
ethyl 1-[[3-(dideuteriomethoxy)-2-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
CID 87410695
pentan-3-yl 3-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]-2,2-dimethylpropanoate
CID 67465888
propan-2-yl 1-[[3-(dihydroxymethoxy)-2-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
CID 89424547
[(3R)-oxolan-3-yl] 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
CID 67465850
[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenyl] pentanoate
CID 89420921

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate?
The IUPAC name of 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate (CID 71279279) is 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate is COc1ccc(-c2cccc3c2COC3=O)c(OCC2(C(=O)OCC(C)C)CC2)c1OC.
What is the InChIKey of 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate?
The InChIKey is JSUUDLPIPQMRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O7/c1-15(2)12-31-24(27)25(10-11-25)14-32-21-17(8-9-20(28-3)22(21)29-4)16-6-5-7-18-19(16)13-30-23(18)26/h5-9,15H,10-14H2,1-4H3.
What are the key properties of 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate?
2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate has a molecular weight of 440.49 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 71279279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).