ChemSpider 2D Image | 3'-(Benzyloxy)-2-methyl-4-biphenylcarboxylic acid | C21H18O3

3'-(Benzyloxy)-2-methyl-4-biphenylcarboxylic acid

  • Molecular FormulaC21H18O3
  • Average mass318.366 Da
  • Monoisotopic mass318.125580 Da
  • ChemSpider ID26531286

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-3'-(phenylmethoxy)- [ACD/Index Name]
1261911-97-0 [RN]
3'-(Benzyloxy)-2-methyl-[1,1'-biphenyl]-4-carboxylic acid
3'-(Benzyloxy)-2-methyl-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3'-(Benzyloxy)-2-methyl-4-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 3'-(benzyloxy)-2-méthyl-4-biphénylcarboxylique [French] [ACD/IUPAC Name]
3'-(Benzyloxy)-2-methyl[1,1'-biphenyl]-4-carboxylic acid
4-(3-BENZYLOXYPHENYL)-3-METHYLBENZOIC ACID
4-(3-Benzyloxyphenyl)-3-methylbenzoicacid
MFCD18322860
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 489.9±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.7±3.0 kJ/mol
    Flash Point: 174.0±18.9 °C
    Index of Refraction: 1.616
    Molar Refractivity: 93.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.63
    ACD/LogD (pH 5.5): 4.01
    ACD/BCF (pH 5.5): 322.99
    ACD/KOC (pH 5.5): 941.67
    ACD/LogD (pH 7.4): 2.43
    ACD/BCF (pH 7.4): 8.59
    ACD/KOC (pH 7.4): 25.03
    Polar Surface Area: 47 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 268.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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