Chemical Properties of 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)- (CAS 5836-29-3)

2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-

InChI
InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2
InChI Key
ULSLJYXHZDTLQK-UHFFFAOYSA-N
Formula
C19H16O3
SMILES
O=c1oc2ccccc2c(O)c1C1CCCc2ccccc21
Molecular Weight1
292.33
CAS
5836-29-3
Other Names
  • 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycoumarin
  • 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycoumarine
  • 3-(1,2,3,4-Tetrahydro-1-naphtyl)-4-hydroxycoumarine
  • 3-(1-Tetralyl)-4-hydroxycoumarin
  • 3-(d-Tetralyl)-4-hydroxycoumarin
  • 3-(«alpha»-Tetralinyl)-4-hydroxycoumarin
  • 3-(«alpha»-Tetralyl)-4-hydroxycoumarin
  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naftyl)-cumarine
  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2H-1-benzopyran-2-one
  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-cumarin
  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)coumarin
  • 4-Idrossi-3-(1,2,3,4-tetraidro-1-naftil)-cumarina
  • BAY 25634
  • BAY ENE 11183 B
  • BAYER 25 634
  • Coumarin, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-
  • Coumatetralyl
  • Coumetralyl
  • Cumatetralyl
  • ENE 11183 B
  • Endox
  • Endrocid
  • Endrocide
  • Racumin
  • Raucumin 57
  • Rodentin
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Physical Properties

Property Value Unit Source
IE 7.95 eV Relay (1.0) Calculated Property
log10WS [-2.84; -2.84]   Show Hide
log10WS -2.84 Aq. Solubility Prediction
log10WS -2.84 Estimated Solubility
logPoct/wat 3.967 Crippen Calculated Property
McVol 218.340 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Hydroxy-N-methylcytisine. Ni-TETMP complex. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Ajmaline. Diacetylmorphine. Nicocodine. 6-O,N-Diacetylnorcodeine. TCN. Deserpidine. BUPRENORPHINE. Thebaine. Ethylmorphine. Hydromorphone, trimethylsilyl ether. Ergocristine. PACLITAXEL.

Find more compounds similar to 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-.

Sources

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