cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate

C25H26O6 — CID 67467649

About cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate

cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate (PubChem CID 67467649) has the molecular formula C25H26O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate
• PubChem CID: 67467649
• Molecular Formula: C25H26O6
• Molecular Weight: 422.48 g/mol
• Exact Mass: 422.17
• IUPAC Name: cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate
• SMILES: COc1ccc(-c2cccc3c2CCC3=O)c(OC2(C(=O)OCC3CC3)CC2)c1OC
• InChI: InChI=1S/C25H26O6/c1-28-21-11-9-19(16-4-3-5-18-17(16)8-10-20(18)26)22(23(21)29-2)31-25(12-13-25)24(27)30-14-15-6-7-15/h3-5,9,11,15H,6-8,10,12-14H2,1-2H3
• InChIKey: ISIRLZAMVIVTHQ-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.48
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate?

The IUPAC name of cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate (CID 67467649) is cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate.

What is the SMILES notation for cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate?

The canonical SMILES for cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate is COc1ccc(-c2cccc3c2CCC3=O)c(OC2(C(=O)OCC3CC3)CC2)c1OC.

What is the InChIKey of cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate?

The InChIKey is ISIRLZAMVIVTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O6/c1-28-21-11-9-19(16-4-3-5-18-17(16)8-10-20(18)26)22(23(21)29-2)31-25(12-13-25)24(27)30-14-15-6-7-15/h3-5,9,11,15H,6-8,10,12-14H2,1-2H3.

What are the key properties of cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate?

cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate has a molecular weight of 422.48 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl 1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]cyclopropane-1-carboxylate is sourced from PubChem (CID 67467649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).