5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile

C24H23NOS — CID 58367155

About 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile

5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 58367155) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

• Compound Name: 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile
• PubChem CID: 58367155
• Molecular Formula: C24H23NOS
• Molecular Weight: 373.52 g/mol
• Exact Mass: 373.15
• IUPAC Name: 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile
• SMILES: CC(C)Oc1ccc(-c2ccc(-c3cccc4c3CCC4C)s2)cc1C#N
• InChI: InChI=1S/C24H23NOS/c1-15(2)26-22-10-8-17(13-18(22)14-25)23-11-12-24(27-23)21-6-4-5-19-16(3)7-9-20(19)21/h4-6,8,10-13,15-16H,7,9H2,1-3H3
• InChIKey: CVXLQAIPMOOQLM-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 33.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	373.52
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile?

The IUPAC name of 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile (CID 58367155) is 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile.

What is the SMILES notation for 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile?

The canonical SMILES for 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2ccc(-c3cccc4c3CCC4C)s2)cc1C#N.

What is the InChIKey of 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile?

The InChIKey is CVXLQAIPMOOQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NOS/c1-15(2)26-22-10-8-17(13-18(22)14-25)23-11-12-24(27-23)21-6-4-5-19-16(3)7-9-20(19)21/h4-6,8,10-13,15-16H,7,9H2,1-3H3.

What are the key properties of 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile?

5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 373.52 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(1-methyl-2,3-dihydro-1H-inden-4-yl)thiophen-2-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 58367155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).