2-(4-Isobutylphenyl)propionaldehyde

• CAS: 51407-46-6
• Catalog Number: ACM51407466
• Category: Main Products
• Molecular Weight: 190.28
• Molecular Formula: C13H18O
• Appearance: Solid

Custom Q&A

What is the molecular formula of 2-(4-Isobutylphenyl)propionaldehyde?

The molecular formula is C13H18O.

What is the molecular weight of 2-(4-Isobutylphenyl)propionaldehyde?

The molecular weight is 190.28 g/mol.

What is the IUPAC name of 2-(4-Isobutylphenyl)propionaldehyde?

The IUPAC name is 2-[4-(2-methylpropyl)phenyl]propanal.

What is the InChI of 2-(4-Isobutylphenyl)propionaldehyde?

The InChI is InChI=1S/C13H18O/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,9-11H,8H2,1-3H3.

What is the InChIKey of 2-(4-Isobutylphenyl)propionaldehyde?

The InChIKey is DMZVZANOMJGHKO-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-(4-Isobutylphenyl)propionaldehyde?

The Canonical SMILES is CC(C)CC1=CC=C(C=C1)C(C)C=O.

What is the XLogP3-AA value of 2-(4-Isobutylphenyl)propionaldehyde?

The XLogP3-AA value is 3.5.

How many hydrogen bond donor counts does 2-(4-Isobutylphenyl)propionaldehyde have?

It has 0 hydrogen bond donor counts.

How many rotatable bond counts does 2-(4-Isobutylphenyl)propionaldehyde have?

It has 4 rotatable bond counts.

Is 2-(4-Isobutylphenyl)propionaldehyde a canonicalized compound?

Yes, it is a canonicalized compound.