propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate

C23H26O6 — CID 71279394

About propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate

propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate (PubChem CID 71279394) has the molecular formula C23H26O6 and a molecular weight of 398.46 g/mol. Its IUPAC name is propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate.

Molecular Properties

• Compound Name: propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate
• PubChem CID: 71279394
• Molecular Formula: C23H26O6
• Molecular Weight: 398.46 g/mol
• Exact Mass: 398.17
• IUPAC Name: propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate
• SMILES: CCOc1c(OC)ccc(-c2cccc3c2CCC3=O)c1OCC(=O)OC(C)C
• InChI: InChI=1S/C23H26O6/c1-5-27-23-20(26-4)12-10-18(22(23)28-13-21(25)29-14(2)3)15-7-6-8-17-16(15)9-11-19(17)24/h6-8,10,12,14H,5,9,11,13H2,1-4H3
• InChIKey: KMLFAVVFCJULRA-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.46
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate?

The IUPAC name of propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate (CID 71279394) is propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate.

What is the SMILES notation for propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate?

The canonical SMILES for propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate is CCOc1c(OC)ccc(-c2cccc3c2CCC3=O)c1OCC(=O)OC(C)C.

What is the InChIKey of propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate?

The InChIKey is KMLFAVVFCJULRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O6/c1-5-27-23-20(26-4)12-10-18(22(23)28-13-21(25)29-14(2)3)15-7-6-8-17-16(15)9-11-19(17)24/h6-8,10,12,14H,5,9,11,13H2,1-4H3.

What are the key properties of propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate?

propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate has a molecular weight of 398.46 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[2-ethoxy-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]acetate is sourced from PubChem (CID 71279394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).