3-(3-Phenylpropoxy)benzaldehyde

• Catalog Number: ACMA00002952
• Category: Ethers
• Molecular Weight: 240.30
• Molecular Formula: C₁₆H₁₅ClO₃
• Hazard Statements: H317
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C16H16O2.

What is the molecular weight of the compound?

The molecular weight is 240.30 g/mol.

When was the compound created?

The compound was created on December 5, 2007.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(3-phenylpropoxy)benzaldehyde.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H16O2/c17-13-15-8-4-10-16(12-15)18-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12-13H,5,9,11H2.

What is the InChIKey of the compound?

The InChIKey of the compound is LUQFENNLCJFNBU-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)C=O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.7.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 6 rotatable bond counts.