4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran

C24H32O — CID 158255097

About 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran

4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 158255097) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

• Compound Name: 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran
• PubChem CID: 158255097
• Molecular Formula: C24H32O
• Molecular Weight: 336.52 g/mol
• Exact Mass: 336.25
• IUPAC Name: 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran
• SMILES: CC(C)(C)c1cccc2c1CCC2.CC(C)c1ccc2c(c1)CCO2
• InChI: InChI=1S/C13H18.C11H14O/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h5,7,9H,4,6,8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3
• InChIKey: GHENBIYEINUUIG-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	336.52
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran?

The IUPAC name of 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran (CID 158255097) is 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran.

What is the SMILES notation for 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran?

The canonical SMILES for 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran is CC(C)(C)c1cccc2c1CCC2.CC(C)c1ccc2c(c1)CCO2.

What is the InChIKey of 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran?

The InChIKey is GHENBIYEINUUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C11H14O/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h5,7,9H,4,6,8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3.

What are the key properties of 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran?

4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran has a molecular weight of 336.52 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 158255097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).