ChemSpider 2D Image | (trans-4-{4-[5-(Phenylcarbamoyl)-2-naphthyl]phenyl}cyclohexyl)acetic acid | C31H29NO3

(trans-4-{4-[5-(Phenylcarbamoyl)-2-naphthyl]phenyl}cyclohexyl)acetic acid

  • Molecular FormulaC31H29NO3
  • Average mass463.567 Da
  • Monoisotopic mass463.214752 Da
  • ChemSpider ID34239483

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(trans-4-{4-[5-(Phenylcarbamoyl)-2-naphthyl]phenyl}cyclohexyl)acetic acid [ACD/IUPAC Name]
(trans-4-{4-[5-(Phenylcarbamoyl)-2-naphthyl]phenyl}cyclohexyl)essigsäure [German] [ACD/IUPAC Name]
Acide (trans-4-{4-[5-(phénylcarbamoyl)-2-naphtyl]phényl}cyclohexyl)acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-[4-[5-[(phenylamino)carbonyl]-2-naphthalenyl]phenyl]-, trans- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 624.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 331.2±28.2 °C
Index of Refraction: 1.656
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 13209.11
ACD/KOC (pH 5.5): 17862.59
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 209.88
ACD/KOC (pH 7.4): 283.82
Polar Surface Area: 66 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 381.1±3.0 cm3

Click to predict properties on the Chemicalize site


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