4′-O-Methylbavachalcone
Properties
- Molecular formula
- C21H22O4
- Molar mass
- 338.40 g/mol
- Exact mass
- 338.1518 Da
- Melting point
- 169.9–170.1 °C
- logP
- 4.51Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 6
- 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
20784-60-5SMILES
COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)cc1CC=C(C)CInChIKey
ZUGCRBMNFSAUOC-YRNVUSSQSA-NInChI
InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2-Propen-1-one, 1-[2-hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-
- Chalcone, 2′,4-dihydroxy-4′-methoxy-5′-(3-methyl-2-butenyl)-
- 2-Propen-1-one, 1-[2-hydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (E)-
- (2E)-1-[2-Hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
- 4′-O-Methylbroussochalcone B
Work with 4′-O-Methylbavachalcone
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds