5-Methoxyflavone

C16H12O3CAS 42079-78-7252.27 g/mol

Open in Covalent MOL file
OOO
Ether

Properties

Molecular formula
C16H12O3
Molar mass
252.27 g/mol
Exact mass
252.0786 Da
Melting point
135 °C
logP
3.47Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
42079-78-7
SMILES
COc1cccc2oc(-c3ccccc3)cc(=O)c12
InChIKey
XRQSPUXANRGDAV-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3

Weigh it out

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

Names and synonyms

3 names
  • 4H-1-Benzopyran-4-one, 5-methoxy-2-phenyl-
  • Flavone, 5-methoxy-
  • 5-Methoxy-2-phenyl-4H-1-benzopyran-4-one

Work with 5-Methoxyflavone

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

5,7-Dimethoxyflavone21392-57-472 % similar 5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one973-67-168 % similar Mosloflavone740-33-063 % similar 5-Hydroxyflavone491-78-160 % similar 5,7,4′-Trimethoxyflavone5631-70-959 % similar Techtochrysin520-28-558 % similar Oroxylin A480-11-556 % similar 3',4'-Dimethoxyflavone4143-62-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Methoxyflavone22395-22-8 4-(Acryloyloxy)benzophenone22535-49-5 6-Methoxyflavone26964-24-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook