Methyl 3,5-bis(benzyloxy)benzoate
PubChem CID
2733652
Structure
Molecular Formula
Synonyms
- 58605-10-0
- methyl 3,5-bis(benzyloxy)benzoate
- Methyl 3,5-Dibenzyloxybenzoate
- methyl 3,5-bis(phenylmethoxy)benzoate
- 3,5-Dibenzyloxybenzoic Acid Methyl Ester
Molecular Weight
348.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-07-19
- Modify:2025-01-04
Chemical Structure Depiction
methyl 3,5-bis(phenylmethoxy)benzoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C22H20O4/c1-24-22(23)19-12-20(25-15-17-8-4-2-5-9-17)14-21(13-19)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
GBQCMRLPXFXVIN-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C22H20O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
58605-10-0
- 58605-10-0
- methyl 3,5-bis(benzyloxy)benzoate
- Methyl 3,5-Dibenzyloxybenzoate
- methyl 3,5-bis(phenylmethoxy)benzoate
- 3,5-Dibenzyloxybenzoic Acid Methyl Ester
- Benzoic acid,3,5-bis(phenylmethoxy)-,methyl ester
- 2732-96-9
- Methyl 3,5-Dibenzyloxy Benzoate
- SCHEMBL391547
- GBQCMRLPXFXVIN-UHFFFAOYSA-
- DTXSID20974153
- methyl3,5-bis(benzyloxy)benzoate
- GBQCMRLPXFXVIN-UHFFFAOYSA-N
- MFCD02728721
- AKOS005090843
- CS-W009818
- DB-050123
- 3,5-Bis(benzyloxy)benzoic Acid Methyl Ester
- B2092
- 3,5-bis(phenylmethoxy)benzoic acid methyl ester
- 3W-0014
- InChI=1/C22H20O4/c1-24-22(23)19-12-20(25-15-17-8-4-2-5-9-17)14-21(13-19)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
348.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
348.13615911 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
348.13615911 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
44.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
382
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
1D NMR Spectra
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=GBQCMRLPXFXVIN-UHFFFAOYSA-N
- EPA DSSToxMethyl 3,5-bis(benzyloxy)benzoatehttps://comptox.epa.gov/dashboard/DTXSID20974153
- Japan Chemical Substance Dictionary (Nikkaji)
- NMRShiftDB
- SpectraBase3,5-bis(benzyloxy)benzoic acid methyl esterhttps://spectrabase.com/spectrum/LGfXjG4l06gMethyl 3,5-bis(benzyloxy)benzoatehttps://spectrabase.com/spectrum/6XdNqUkJocMethyl 3,5-bis(benzyloxy)benzoatehttps://spectrabase.com/spectrum/8hErkQ567ly
- WikidataMethyl 3,5-bis(benzyloxy)benzoatehttps://www.wikidata.org/wiki/Q82958314
- PubChem
- PATENTSCOPE (WIPO)SID 388764796https://pubchem.ncbi.nlm.nih.gov/substance/388764796
CONTENTS