2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one

C25H34O2 — CID 70658144

About 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one

2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one (PubChem CID 70658144) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one
• PubChem CID: 70658144
• Molecular Formula: C25H34O2
• Molecular Weight: 366.55 g/mol
• Exact Mass: 366.26
• IUPAC Name: 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one
• SMILES: CCC(C)(C)C(=O)c1ccc(C(C)(C)c2ccc(OC(C)(C)C)cc2)cc1
• InChI: InChI=1S/C25H34O2/c1-9-24(5,6)22(26)18-10-12-19(13-11-18)25(7,8)20-14-16-21(17-15-20)27-23(2,3)4/h10-17H,9H2,1-8H3
• InChIKey: UOYJEBPPEVXBCG-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.55
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one?

The IUPAC name of 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one (CID 70658144) is 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one.

What is the SMILES notation for 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one?

The canonical SMILES for 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one is CCC(C)(C)C(=O)c1ccc(C(C)(C)c2ccc(OC(C)(C)C)cc2)cc1.

What is the InChIKey of 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one?

The InChIKey is UOYJEBPPEVXBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-9-24(5,6)22(26)18-10-12-19(13-11-18)25(7,8)20-14-16-21(17-15-20)27-23(2,3)4/h10-17H,9H2,1-8H3.

What are the key properties of 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one?

2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one has a molecular weight of 366.55 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one is sourced from PubChem (CID 70658144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).