4-propylphenyl 4-(4-ethylcyclohexyl)benzoate

• ChemBase ID: 299255
• Molecular Formular: C24H30O2
• Molecular Mass: 350.4938
• Monoisotopic Mass: 350.2245802
• SMILES: CCCc1ccc(cc1)OC(=O)c1ccc(cc1)C1CCC(CC1)CC
• Canonical SMILES: CCCc1ccc(cc1)OC(=O)c1ccc(cc1)C1CCC(CC1)CC
• InChI: InChI=1S/C24H30O2/c1-3-5-19-8-16-23(17-9-19)26-24(25)22-14-12-21(13-15-22)20-10-6-18(4-2)7-11-20/h8-9,12-18,20H,3-7,10-11H2,1-2H3
• InChIKey: CVZSOYGGKIMZOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propylphenyl 4-(4-ethylcyclohexyl)benzoate
• IUPAC Traditional name: 4-propylphenyl 4-(4-ethylcyclohexyl)benzoate
• Synonyms: trans-4-(4-Ethylcyclohexyl)benzoic acid 4-n-propylphenyl ester; 4-n-Propylphenyl trans-4-(4-ethylcyclohexyl)benzoate

Database IDs

• CAS Number: 104633-43-4
• MDL Number: MFCD09952982
• PubChem SID: 180684786
• PubChem CID: 13765255

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.8838167
• LogD (pH = 7.4): 7.8838167
• Log P: 7.8838167
• Molar Refractivity: 107.4453 cm^3
• Polarizability: 41.890247 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%