2,5-Bis(benzyloxy)benzoic acid
PubChem CID
10664432
Structure
Molecular Formula
Synonyms
- 2,5-bis(benzyloxy)benzoic acid
- 67127-91-7
- 2,5-bis-benzyloxy-benzoic acid
- 2,5-bis(phenylmethoxy)benzoic Acid
- 2,5-Bis-benzyloxy-benzoicacid
Molecular Weight
334.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2006-10-25
- Modify:2025-01-04
Chemical Structure Depiction
2,5-bis(phenylmethoxy)benzoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C21H18O4/c22-21(23)19-13-18(24-14-16-7-3-1-4-8-16)11-12-20(19)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,22,23)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
JCXIICUMJCMYAV-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C=C1)COC2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C21H18O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
67127-91-7
- 2,5-bis(benzyloxy)benzoic acid
- 67127-91-7
- 2,5-bis-benzyloxy-benzoic acid
- 2,5-bis(phenylmethoxy)benzoic Acid
- 2,5-Bis-benzyloxy-benzoicacid
- MFCD00156981
- 2,5-dibenzyloxybenzoic acid
- DTXSID30443244
- 2,5-Bisbenzyloxybenzoic acid
- SCHEMBL344833
- 2,5-bis(benzyloxy)benzoicacid
- DTXCID30394065
- JCXIICUMJCMYAV-UHFFFAOYSA-N
- AKOS016000680
- DS-6710
- 2 pound not5-Bis(benzyloxy)benzoic acid
- SY064333
- CS-0156183
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
334.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.4
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
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
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
334.12050905 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
334.12050905 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
55.8Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
25
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
399
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)
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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=JCXIICUMJCMYAV-UHFFFAOYSA-N
- EPA DSSTox2,5-bis(benzyloxy)benzoic acidhttps://comptox.epa.gov/dashboard/DTXSID30443244
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- Wikidata2,5-bis(benzyloxy)benzoic acidhttps://www.wikidata.org/wiki/Q82260974
- PubChem
- PATENTSCOPE (WIPO)SID 403412829https://pubchem.ncbi.nlm.nih.gov/substance/403412829
CONTENTS