[3,5-Bis(benzyloxy)phenyl]acetic acid

HCID 640123

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIKey: OXIJAXADJOFLGS-UHFFFAOYSA-N
Molecular formula: C22H20O4
Average molar mass: 348.4 g/mol

Names & identifiers

Preferred name: [3,5-Bis(benzyloxy)phenyl]acetic acid
IUPAC: 2-[3,5-bis(phenylmethoxy)phenyl]acetic acid

Names & synonyms

[3,5-bis(benzyloxy)phenyl]acetic acidSCHEMBL29578813,5-dibenzyloxyphenylacetic acidOXIJAXADJOFLGS-UHFFFAOYSA-Nbenzeneacetic acid, 3,5-bis(phenylmethoxy)-InChI=1/C22H20O4/c23-22(24)13-19-11-20(25-15-17-7-3-1-4-8-17)14-21(12-19)26-16-18-9-5-2-6-10-18/h1-12,14H,13,15-16H2,(H,23,24

Database identifiers

PubChem CID: 640123
Nikkaji: J885.583H

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 382

Related reactions

2 records

New reaction record

HRID 1555920As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2253732As productuspto-grants-1993_08

Compound notes

Loading…