cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate

C25H28O7 — CID 71279624

IUPACcyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate
SMILESCOc1ccc(-c2ccc3c(c2)COC3=O)c(OC(C)(C)C(=O)OC2CCCC2)c1OC
InChIInChI=1S/C25H28O7/c1-25(2,24(27)31-17-7-5-6-8-17)32-21-18(11-12-20(28-3)22(21)29-4)15-9-10-19-16(13-15)14-30-23(19)26/h9-13,17H,5-8,14H2,1-4H3
InChIKeyUIVQOGDXLXIKIA-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.68
Rot. Bonds7

About cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate

cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate (PubChem CID 71279624) has the molecular formula C25H28O7 and a molecular weight of 440.49 g/mol. Its IUPAC name is cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namecyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate
PubChem CID71279624
Molecular FormulaC25H28O7
Molecular Weight440.49 g/mol
Exact Mass440.18
IUPAC Namecyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate
SMILESCOc1ccc(-c2ccc3c(c2)COC3=O)c(OC(C)(C)C(=O)OC2CCCC2)c1OC
InChIInChI=1S/C25H28O7/c1-25(2,24(27)31-17-7-5-6-8-17)32-21-18(11-12-20(28-3)22(21)29-4)15-9-10-19-16(13-15)14-30-23(19)26/h9-13,17H,5-8,14H2,1-4H3
InChIKeyUIVQOGDXLXIKIA-UHFFFAOYSA-N
XLogP4.68
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate?
The IUPAC name of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate (CID 71279624) is cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate?
The canonical SMILES for cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate is COc1ccc(-c2ccc3c(c2)COC3=O)c(OC(C)(C)C(=O)OC2CCCC2)c1OC.
What is the InChIKey of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate?
The InChIKey is UIVQOGDXLXIKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O7/c1-25(2,24(27)31-17-7-5-6-8-17)32-21-18(11-12-20(28-3)22(21)29-4)15-9-10-19-16(13-15)14-30-23(19)26/h9-13,17H,5-8,14H2,1-4H3.
What are the key properties of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate?
cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate has a molecular weight of 440.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 71279624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).