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
  • 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
ω 0.7214 Relay (1.0) Calculated Property
ΔfG° -6.29 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -246.51 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 136.90 kJ/mol Relay (1.0) Calculated Property
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
Pc 2935.83 kPa Relay (1.0-beta) Calculated Property
Tboil 701.23 K Relay (1.0) Calculated Property
Tc 1035.14 K Relay (1.0) Calculated Property
Tfus 448.41 K Relay (1.0) Calculated Property
Vc 0.791 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Hydroxy-N-methylcytisine. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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

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