2-(cyclopropylmethoxy)benzaldehyde

• ChemBase ID: 263593
• Molecular Formular: C11H12O2
• Molecular Mass: 176.21178
• Monoisotopic Mass: 176.08372962
• SMILES: C1(CC1)COc1c(C=O)cccc1
• Canonical SMILES: O=Cc1ccccc1OCC1CC1
• InChI: InChI=1S/C11H12O2/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h1-4,7,9H,5-6,8H2
• InChIKey: YPXZBUQPDJHULR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)benzaldehyde
• IUPAC Traditional name: 2-(cyclopropylmethoxy)benzaldehyde
• Synonyms: 2-(cyclopropylmethoxy)benzaldehyde

Database IDs

• MDL Number: MFCD11156430
• PubChem SID: 164319503
• PubChem CID: 14955529

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.308654
• LogD (pH = 7.4): 2.308654
• Log P: 2.308654
• Molar Refractivity: 51.0472 cm^3
• Polarizability: 19.534859 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.752

Product Information

• Purity: 95%