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)

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

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

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

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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