Phenyl 2-hydroxy-4,5-dimethoxybenzoate

C₁₅H₁₄O₅CAS 877997-98-3274.27 g/mol

Open in Covalent MOL file

Ester Ether Phenol

Properties

Molecular formula: C₁₅H₁₄O₅
Molar mass: 274.27 g/mol
Exact mass: 274.0841 Da
logP: 2.63Crippen estimate
Polar surface area: 65.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

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

877997-98-3

SMILES

COC1=C(C=C(C(=C1)C(=O)OC2=CC=CC=C2)O)OC

InChIKey

JXURAFZSOJQXKD-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O5/c1-18-13-8-11(12(16)9-14(13)19-2)15(17)20-10-6-4-3-5-7-10/h3-9,16H,1-2H3

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Work with Phenyl 2-hydroxy-4,5-dimethoxybenzoate

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

Phenyl salicylate118-55-859 % similar Phenyl 4-aminosalicylate133-11-957 % similar 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-254 % similar 2-Hydroxy-4,5-dimethoxybenzoic acid5722-93-054 % similar Phenyl 1,4-dihydroxy-2-naphthalenecarboxylate54978-55-153 % similar Diphenyl phthalate84-62-851 % similar Methyl 3-hydroxy-2-naphthoate883-99-848 % similar Oxybenzone131-57-747 % similar

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

Same formula

2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-4 (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-2-oxo-2H-cyclopenta[b]furan-4-carboxaldehyde39746-01-5 Methysticin495-85-2 Guaiacol carbonate553-17-3 Phloretin60-82-2

Elsewhere

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