chempirical

Coniferyl ferulate

C20H20O6CAS 63644-62-2356.37 g/mol

Open in Covalent MOL file
OOOHOOOH
AlkeneEsterEtherPhenol

Properties

Molecular formula
C20H20O6
Molar mass
356.37 g/mol
Exact mass
356.1260 Da
logP
3.38Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
7
Double bonds
E, 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
63644-62-2
SMILES
COC1=C(C=CC(=C1)/C=C/COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
InChIKey
PGLIMMMHQDNVRS-YZQQHVNFSA-N
InChI
InChI=1S/C20H20O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h3-10,12-13,21-22H,11H2,1-2H3/b4-3+,10-7+

Weigh it out

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

Work with Coniferyl ferulate

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

Ethyl ferulate4046-02-076 % similar Methyl ferulate2309-07-171 % similar Phenylethyl 3-methylcaffeate71835-85-369 % similar Curcumin458-37-764 % similar Dehydrozingerone1080-12-262 % similar Ferulic acid1135-24-662 % similar Ferulic acid537-98-462 % similar Coniferyl alcohol458-35-559 % similar

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

Same formula

Sauchinone177931-17-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook