chempirical

Geraldol

C16H12O6CAS 21511-25-1300.27 g/mol

Open in Covalent MOL file
OOOHOHOHO
EtherPhenol

Properties

Molecular formula
C16H12O6
Molar mass
300.27 g/mol
Exact mass
300.0634 Da
Melting point
307–308 °C
logP
2.59Crippen estimate
Polar surface area
100.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
21511-25-1
SMILES
COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)ccc1O
InChIKey
WRFQRUBJBPLPAM-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O6/c1-21-13-6-8(2-5-11(13)18)16-15(20)14(19)10-4-3-9(17)7-12(10)22-16/h2-7,17-18,20H,1H3

Weigh it out

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

Names and synonyms

4 names
  • 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
  • Flavone, 3,4′,7-trihydroxy-3′-methoxy-
  • 3,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
  • 3′-Methoxy-3,7,4′-trihydroxyflavone

Work with Geraldol

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

Isorhamnetin480-19-373 % similar Fisetin528-48-373 % similar Tamarixetin603-61-261 % similar 3,7-Dihydroxyflavone492-00-260 % similar Chrysosplenetin603-56-558 % similar Calycosin20575-57-953 % similar Pachypodol33708-72-453 % similar Rhamnetin90-19-752 % similar

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

Same formula

Hispidulin1447-88-7 Luteolin 7-methyl ether20243-59-8 Kaempferide491-54-3 Chrysoeriol491-71-4 Diosmetin520-34-3 Acetylsalicylsalicylic acid530-75-6 Tectorigenin548-77-6 Rhamnocitrin569-92-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook