Chemical Properties of 2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 3,4-dihydro-2-methoxy-2-methyl-4-phenyl- (CAS 518-20-7)

2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 3,4-dihydro-2-methoxy-2-methyl-4-phenyl-

InChI
InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3
InChI Key
ZGFASEKBKWVCGP-UHFFFAOYSA-N
Formula
C20H18O4
SMILES
COC1(C)CC(c2ccccc2)c2c(c3ccccc3oc2=O)O1
Molecular Weight1
322.35
CAS
518-20-7
Other Names
  • Cyclocoumarol
  • Anticoagulans 63
  • BL 5
  • Compound 63 link
  • Cumopyran
  • Cumopyrin
  • Cyclocumarol
  • 3,4-Dihydro-2-methoxy-2-methyl-4-phenyl-2H,5H-pyrano(3,2-c)(1)benzopyran-5-one
  • Methanopyranorin
  • Anticoagulant No. 63
  • 3,4-(2'-Methyl-2'-methoxy-4'-phenyl)dihydropyranocoumarin
  • 2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-(o-hydroxyphenyl)-2-methoxy-2-methyl-4-phenyl-, «delta»-lactone
  • 3,4-(2'-Methyl-2'-methoxy-4'-phenyl)dihydropyrano(-) coumarin
  • 3,4-dihydro-2-methoxy-2-methyl-4-phenylpyrano[3,2-c]chromen-5-one
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Physical Properties

Property Value Unit Source
ω 0.6168 Relay (1.0) Calculated Property
ΔfG° -105.86 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -371.61 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 118.23 kJ/mol Relay (1.0) Calculated Property
IE 8.04 eV Relay (1.0) Calculated Property
log10WS -4.46 Relay (1.0) Calculated Property
logPoct/wat 4.070 Crippen Calculated Property
McVol 238.300 ml/mol McGowan Calculated Property
Pc 1752.46 kPa Relay (1.0-beta) Calculated Property
Tboil 712.61 K Relay (1.0) Calculated Property
Tc 1002.58 K Relay (1.0) Calculated Property
Tfus 393.45 K Relay (1.0) Calculated Property
Vc 0.891 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 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,5H-Pyrano[3,2-c][1]benzopyran-5-one, 3,4-dihydro-2-methoxy-2-methyl-4-phenyl-.

Sources

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