ChemSpider 2D Image | 1-{[4-({4-Methoxy-4-[(4-methylphenoxy)methyl]-1-azepanyl}methyl)phenoxy]methyl}cyclohexanol | C29H41NO4

1-{[4-({4-Methoxy-4-[(4-methylphenoxy)methyl]-1-azepanyl}methyl)phenoxy]methyl}cyclohexanol

  • Molecular FormulaC29H41NO4
  • Average mass467.640 Da
  • Monoisotopic mass467.303558 Da
  • ChemSpider ID68658603

More details:

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

1-{[4-({4-Methoxy-4-[(4-methylphenoxy)methyl]-1-azepanyl}methyl)phenoxy]methyl}cyclohexanol [German] [ACD/IUPAC Name]
1-{[4-({4-Methoxy-4-[(4-methylphenoxy)methyl]-1-azepanyl}methyl)phenoxy]methyl}cyclohexanol [ACD/IUPAC Name]
1-{[4-({4-Méthoxy-4-[(4-méthylphénoxy)méthyl]-1-azépanyl}méthyl)phénoxy]méthyl}cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 1-[[4-[[hexahydro-4-methoxy-4-[(4-methylphenoxy)methyl]-1H-azepin-1-yl]methyl]phenoxy]methyl]- [ACD/Index Name]
1-(4-{[4-METHOXY-4-(4-METHYLPHENOXYMETHYL)AZEPAN-1-YL]METHYL}PHENOXYMETHYL)CYCLOHEXAN-1-OL
1-{[4-({4-METHOXY-4-[(4-METHYLPHENOXY)METHYL]AZEPAN-1-YL}METHYL)PHENOXY]METHYL}CYCLOHEXAN-1-OL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 587.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 309.1±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 18.20
ACD/KOC (pH 5.5): 55.24
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 924.04
ACD/KOC (pH 7.4): 2805.24
Polar Surface Area: 51 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 410.8±5.0 cm3

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