6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine

C24H30O2 — CID 167208946

About 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine

6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 167208946) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

• Compound Name: 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine
• PubChem CID: 167208946
• Molecular Formula: C24H30O2
• Molecular Weight: 350.50 g/mol
• Exact Mass: 350.22
• IUPAC Name: 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine
• SMILES: CC(C)c1ccc2c(c1)CC(CC(C)c1ccc3c(c1)OCCO3)CC2
• InChI: InChI=1S/C24H30O2/c1-16(2)20-7-6-19-5-4-18(13-22(19)14-20)12-17(3)21-8-9-23-24(15-21)26-11-10-25-23/h6-9,14-18H,4-5,10-13H2,1-3H3
• InChIKey: XUMVIUMIDKZLCD-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.50
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine?

The IUPAC name of 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine (CID 167208946) is 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine.

What is the SMILES notation for 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine?

The canonical SMILES for 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine is CC(C)c1ccc2c(c1)CC(CC(C)c1ccc3c(c1)OCCO3)CC2.

What is the InChIKey of 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine?

The InChIKey is XUMVIUMIDKZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-16(2)20-7-6-19-5-4-18(13-22(19)14-20)12-17(3)21-8-9-23-24(15-21)26-11-10-25-23/h6-9,14-18H,4-5,10-13H2,1-3H3.

What are the key properties of 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine?

6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 350.50 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 167208946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).