4-(4-tert-Butyl-benzyloxy)-3-ethoxy-benzaldehyde

• Catalog Number: ACMA00002660
• Category: Ethers
• Molecular Weight: 312.40
• Molecular Formula: C₁₉H₁₉NO₅
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C20H24O3.

What is the molecular weight of the compound?

The molecular weight is 312.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-[(4-tert-butylphenyl)methoxy]-3-ethoxybenzaldehyde.

What is the InChI of the compound?

The InChI is InChI=1S/C20H24O3/c1-5-22-19-12-16(13-21)8-11-18(19)23-14-15-6-9-17(10-7-15)20(2,3)4/h6-13H,5,14H2,1-4H3.

What is the InChIKey of the compound?

The InChIKey is MFSGFBSZRKKSEV-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CCOC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)C(C)(C)C.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 4.9.

How many hydrogen bond donor count does the compound have?

The compound has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 3 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 7 rotatable bond count.