Isobavachalcone
Properties
- Molecular formula
- C20H20O4
- Molar mass
- 324.38 g/mol
- Exact mass
- 324.1362 Da
- Melting point
- 156.8–157.8 °C
- logP
- 4.21Crippen estimate
- Polar surface area
- 77.8 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 5
- Double bonds
- EE/Z, in SMILES order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
20784-50-3SMILES
CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1OInChIKey
DUWPGRAKHMEPCM-IZZDOVSWSA-NInChI
InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-
- Chalcone, 2′,4,4′-trihydroxy-3′-(3-methyl-2-butenyl)-
- 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (E)-
- 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-
- (2E)-1-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
- Corylifolinin
- Isobacachalcone
- 4-Hydroxyisocordoin
Work with Isobavachalcone
Similar compounds
Xanthohumol6754-58-164 % similar
4′-O-Methylbavachalcone20784-60-558 % similar
Licochalcone C144506-14-956 % similar
Isoliquiritigenin961-29-553 % similar
Butein487-52-549 % similar
2′,4,4′,6′-Tetrahydroxychalcone73692-50-945 % similar
(4-Hydroxybenzylidene)acetone3160-35-843 % similar
Licochalcone D144506-15-042 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds