chempirical

Glycyrol

C21H18O6CAS 23013-84-5366.37 g/mol

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AlkeneEtherPhenol

Properties

Molecular formula
C21H18O6
Molar mass
366.37 g/mol
Exact mass
366.1103 Da
Melting point
263.5–265 °C
logP
4.62Crippen estimate
Polar surface area
93.0 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Identifiers

CAS number
23013-84-5
SMILES
COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12
InChIKey
LWESBHWAOZORCQ-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-
  • 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-1-methoxy-2-(3-methyl-2-butenyl)-
  • 3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-6-one
  • Neoglycyrol

Work with Glycyrol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook