CAS 51095-47-7 Methyl 4-hydroxyphenyllactate (HCID 170975)

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Basic information

CAS: 51095-47-7
Standard SMILES: COC(=O)C(O)Cc1ccc(O)cc1
InChIKey: PDFUCDWETSQSSU-UHFFFAOYSA-N
Molecular formula: C10H12O4
Average molar mass: 196.2 g/mol
Monoisotopic mass: 196.07355886

Overview

an inhibitor of cell growth and proliferation

Names & identifiers

Preferred name: Methyl 4-hydroxyphenyllactate
IUPAC: methyl 2-hydroxy-3-(4-hydroxyphenyl)propanoate
English name: methyl 4-hydroxyphenyllactate
Molecular formula: C10H12O4
Molecular weight: 196.2

Names & synonyms

Methyl p-hydroxyphenyllactate51095-47-7MeHPLARefChem:157623Methyl 4-hydroxyphenyllactateMethyl 2-hydroxy-3-(4-hydroxyphenyl)propanoate(R)-Methyl 2-hydroxy-3-(4-hydroxyphenyl)propanoateorb1682110SCHEMBL3910015DTXSID20965369HY-N3269TN4552

Show more names

α,4-dihydroxy-Benzenepropanoicacid,methylesterBenzenepropanoic acid, α,4-dihydroxy-, methyl ester2-Hydroxy-3-(4-hydroxyphenyl)propionic acid methyl ester

AKOS018658831FS-8781CS-0023751methyl-2-hydroxy-3-(4-hydroxyphenyl)propanoateEN300-1841962methyl 2-hydroxy-3-(4-hydroxy-phenyl)-propanoateMethyl 2-hydroxy-3-(4-hydroxyphenyl)propanoate #Benzenepropanoic acid, alpha,4-dihydroxy-, methyl ester

Database identifiers

CAS: 51095-47-7
PubChem CID: 170975
DTXSID: DTXSID20965369
Nikkaji: J145.634B

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 185

Physicochemical properties

Boiling point: 356.2 · 356.2±27.0 °C(Predicted)
Density: 1.265 · 1.265±0.06 g/cm3(Predicted)
pka: 9.77 · 9.77±0.15(Predicted)

Chemistry & industry

Applications

UsesMethyl p-hydroxyphenyllactate (MeHPLA) is an important cell growth-regulating agent which binds to nuclear type II binding sites in normal and malignant cells[1].