ChemSpider 2D Image | (6aR,10aR)-6,6,9-Trimethyl-3-[2-(2-thienyl)-2-propanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C23H28O2S

(6aR,10aR)-6,6,9-Trimethyl-3-[2-(2-thienyl)-2-propanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC23H28O2S
  • Average mass368.532 Da
  • Monoisotopic mass368.181000 Da
  • ChemSpider ID23330179

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-6,6,9-Trimethyl-3-[2-(2-thienyl)-2-propanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-[2-(2-thienyl)-2-propanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Triméthyl-3-[2-(2-thiényl)-2-propanyl]-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-[1-methyl-1-(2-thienyl)ethyl]-, (6aR,10aR)- [ACD/Index Name]
(6aR,10aR)-6,6,9-trimethyl-3-[2-(thiophen-2-yl)propan-2-yl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
6,6,9-Trimethyl-3-(1-methyl-1-thiophen-2-yl-ethyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CHEMBL519575
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519575/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 219.3±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 7.02
ACD/BCF (pH 5.5): 128334.55
ACD/KOC (pH 5.5): 157805.28
ACD/LogD (pH 7.4): 7.02
ACD/BCF (pH 7.4): 127654.94
ACD/KOC (pH 7.4): 156969.61
Polar Surface Area: 58 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 330.2±3.0 cm3

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