Methyl 3-(3-bromo-4-hydroxyphenyl)propanoate

HCID 22558720

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)CCc1ccc(O)c(Br)c1
InChIKey: PNXMSIWJRHSLNO-UHFFFAOYSA-N
Molecular formula: C10H11BrO3
Average molar mass: 259.1 g/mol

Names & identifiers

Preferred name: Methyl 3-(3-bromo-4-hydroxyphenyl)propanoate
IUPAC: methyl 3-(3-bromo-4-hydroxyphenyl)propanoate

Names & synonyms

methyl 3-(3-bromo-4-hydroxyphenyl)propanoate60553-38-0SCHEMBL1745479PNXMSIWJRHSLNO-UHFFFAOYSA-NDA-04501methyl 3-(3-bromo-4-hydroxyphenyl)propionateG629183-(3-bromo-4-hydroxy-phenyl)-propionic acid methyl ester

Database identifiers

PubChem CID: 22558720

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 196

Related reactions

10 records

New reaction record

HRID 205741As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 824763As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 837493As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1216658As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1865041As productuspto-grants-2009_12

HRID 2177144As reactantuspto-grants-2015_06

HRID 2378526As reactantuspto-grants-2008_12

HRID 2378527As reactantuspto-grants-2008_12

Compound notes

Loading…