[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate

C24H20O5S — CID 18273522

About [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate (PubChem CID 18273522) has the molecular formula C24H20O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate.

Molecular Properties

• Compound Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
• PubChem CID: 18273522
• Molecular Formula: C24H20O5S
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.10
• IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
• SMILES: O=C(COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C24H20O5S/c25-19(17-5-4-15-2-1-3-16(15)12-17)14-29-24(26)23-9-8-22(30-23)18-6-7-20-21(13-18)28-11-10-27-20/h4-9,12-13H,1-3,10-11,14H2
• InChIKey: YYMXBOAWILMSOK-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 61.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate?

The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate (CID 18273522) is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate.

What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate?

The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate is O=C(COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc2c(c1)CCC2.

What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate?

The InChIKey is YYMXBOAWILMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5S/c25-19(17-5-4-15-2-1-3-16(15)12-17)14-29-24(26)23-9-8-22(30-23)18-6-7-20-21(13-18)28-11-10-27-20/h4-9,12-13H,1-3,10-11,14H2.

What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate?

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate is sourced from PubChem (CID 18273522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).