[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate

C23H24O7 — CID 71287940

IUPAC[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate
SMILESCCC(=O)OC1(COc2c(-c3cccc4c3COC4=O)ccc(OC)c2OC)CC1
InChIInChI=1S/C23H24O7/c1-4-19(24)30-23(10-11-23)13-29-20-15(8-9-18(26-2)21(20)27-3)14-6-5-7-16-17(14)12-28-22(16)25/h5-9H,4,10-13H2,1-3H3
InChIKeyFEUZVQMOZOFFIP-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.91
Rot. Bonds8

About [1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate

[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate (PubChem CID 71287940) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is [1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate.

Molecular Properties

Compound Name[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate
PubChem CID71287940
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Name[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate
SMILESCCC(=O)OC1(COc2c(-c3cccc4c3COC4=O)ccc(OC)c2OC)CC1
InChIInChI=1S/C23H24O7/c1-4-19(24)30-23(10-11-23)13-29-20-15(8-9-18(26-2)21(20)27-3)14-6-5-7-16-17(14)12-28-22(16)25/h5-9H,4,10-13H2,1-3H3
InChIKeyFEUZVQMOZOFFIP-UHFFFAOYSA-N
XLogP3.91
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate?
The IUPAC name of [1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate (CID 71287940) is [1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate.
What is the SMILES notation for [1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate?
The canonical SMILES for [1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate is CCC(=O)OC1(COc2c(-c3cccc4c3COC4=O)ccc(OC)c2OC)CC1.
What is the InChIKey of [1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate?
The InChIKey is FEUZVQMOZOFFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O7/c1-4-19(24)30-23(10-11-23)13-29-20-15(8-9-18(26-2)21(20)27-3)14-6-5-7-16-17(14)12-28-22(16)25/h5-9H,4,10-13H2,1-3H3.
What are the key properties of [1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate?
[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate has a molecular weight of 412.44 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]methyl]cyclopropyl] propanoate is sourced from PubChem (CID 71287940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).