Decanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester

C₂₅H₃₄O₃CAS 848484-93-5382.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₅H₃₄O₃
Molar mass: 382.54 g/mol
Exact mass: 382.2508 Da
logP: 6.49Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 14

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

848484-93-5

SMILES

CCCCCCCCCC(=O)OCCC1=CC=C(C=C1)OCC2=CC=CC=C2

InChIKey

MKSNYWIILLZWOY-UHFFFAOYSA-N

InChI

InChI=1S/C25H34O3/c1-2-3-4-5-6-7-11-14-25(26)27-20-19-22-15-17-24(18-16-22)28-21-23-12-9-8-10-13-23/h8-10,12-13,15-18H,2-7,11,14,19-21H2,1H3

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Work with Decanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester

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

2-Phenylethyl butanoate103-52-661 % similar Phenyl stearate637-55-853 % similar Benzyl butyrate103-37-752 % similar Pentyl benzeneacetate5137-52-052 % similar Glycol distearate627-83-851 % similar Butyl laurate106-18-350 % similar Butyl myristate110-36-150 % similar Butyl palmitate111-06-850 % similar

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

Same formula

(17β)-17-[(1-Oxoheptyl)oxy]estra-4,9,11-trien-3-one1629618-98-9 2-Hydroxy-4-dodecyloxybenzophenone2985-59-3

Elsewhere

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