chempirical

(4S)-(2,2-Dimethyl-1,3-dioxolan-4-yl)-3-(4- hydroxybenzene) propanoic acid,methyl ester (landiolol)

C15H20O5CAS 144256-11-1280.32 g/mol

Open in Covalent MOL file
OOOOOH
AcetalEsterEtherPhenol

Properties

Molecular formula
C15H20O5
Molar mass
280.32 g/mol
Exact mass
280.1311 Da
logP
2.02Crippen estimate
Polar surface area
65.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
144256-11-1
SMILES
CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)O)C
InChIKey
TWMFOGUTFPLVQZ-CYBMUJFWSA-N
InChI
InChI=1S/C15H20O5/c1-15(2)19-10-13(20-15)9-18-14(17)8-5-11-3-6-12(16)7-4-11/h3-4,6-7,13,16H,5,8-10H2,1-2H3/t13-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • (S)-(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-hydroxyphenyl)propanoate

Work with (4S)-(2,2-Dimethyl-1,3-dioxolan-4-yl)-3-(4- hydroxybenzene) propanoic acid,methyl ester (landiolol)

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

Landiolol133242-30-547 % similar N-Succinimidyl 3-(4-hydroxyphenyl)propionate34071-95-945 % similar Landiolol hydrochloride144481-98-145 % similar Raspberry ketone5471-51-241 % similar Ethyl 4-hydroxyphenylacetate17138-28-241 % similar 3-(4-Bromophenyl)propionic acid ethyl ester40640-98-040 % similar Methyl (4-hydroxyphenyl)acetate14199-15-640 % similar Phloretic acid501-97-339 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook