Methyl 3-(4-hydroxyphenyl)propionate

C₁₀H₁₂O₃CAS 5597-50-2180.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
logP: 1.50Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

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

5597-50-2

SMILES

COC(=O)CCC1=CC=C(C=C1)O

InChIKey

XRAMJHXWXCMGJM-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3

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Names and synonyms

1 names

Benzenepropanoic acid, 4-hydroxy-, methyl ester

Work with Methyl 3-(4-hydroxyphenyl)propionate

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

Methyl (4-hydroxyphenyl)acetate14199-15-672 % similar Methyl 3-(4-bromophenyl)propanoate75567-84-970 % similar Ethyl 4-hydroxyhydrocinnamate23795-02-066 % similar Methyl 3-phenylpropionate103-25-366 % similar Methyl 3-(4-methoxyphenyl)propanoate15823-04-865 % similar N-Succinimidyl 3-(4-hydroxyphenyl)propionate34071-95-959 % similar Raspberry ketone5471-51-256 % similar Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate6386-38-554 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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