CHEBI:176565 - methyl 3-(4-hydroxyphenyl)propionate

ChEBI IDCHEBI:176565
ChEBI Namemethyl 3-(4-hydroxyphenyl)propionate
Stars
DefinitionA methyl ester resulting from the formal condensation of the carboxy group of phloretic acid with methanol. It is a nitrification inhibitor and a plant growth regulator.
Last Modified4 November 2022
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FormulaC10H12O3
Net Charge0
Average Mass180.203
Monoisotopic Mass180.07864
SMILESCOC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3
InChIKeyXRAMJHXWXCMGJM-UHFFFAOYSA-N
Roles Classification
Biological Roles:
plant growth regulator  A chemical, natural or artificial, that can affect the rate of growth of a plant.
nitrification inhibitor  Any inhibitor added to nitrogen fertilizers which can reduce the rate at which ammonium is converted to nitrate. Under appropriate conditions, this can help reduce nitrogen losses through denitrification and leaching.
ChEBI Ontology
Outgoing Relation(s)
methyl 3-(4-hydroxyphenyl)propionate (CHEBI:176565) has functional parent phloretic acid (CHEBI:32980)
methyl 3-(4-hydroxyphenyl)propionate (CHEBI:176565) has role nitrification inhibitor (CHEBI:148436)
methyl 3-(4-hydroxyphenyl)propionate (CHEBI:176565) has role plant growth regulator (CHEBI:26155)
methyl 3-(4-hydroxyphenyl)propionate (CHEBI:176565) is a methyl ester (CHEBI:25248)
methyl 3-(4-hydroxyphenyl)propionate (CHEBI:176565) is a phenols (CHEBI:33853)
IUPAC Name 
methyl 3-(4-hydroxyphenyl)propanoate
Synonyms  Source
methyl p-hydroxyhydrocinnamateNIST Chemistry WebBook
methyl 3-(p-hydroxyphenyl)propionateNIST Chemistry WebBook
methyl 4-hydroxyhydrocinnamateNIST Chemistry WebBook
3-(4-hydroxyphenyl)propionic acid methyl esterNIST Chemistry WebBook
4-hydroxybenzenepropanoic acid methyl esterChemIDplus
UniProt Name  Source
3-(4-hydroxyphenyl)propionic acid methyl etherUniProt
Manual XrefsDatabases
72006ChemSpider
Registry NumbersSources
Reaxys:2211073Reaxys
CAS:5597-50-2ChemIDplus
CAS:5597-50-2NIST Chemistry WebBook
Citations