(2R)-3-(4-chlorophenoxy)propane-1,2-diol
PubChem CID
6918886
Structure
Molecular Formula
Synonyms
- (R)-chlorphenesin
- Chlorphenesin, (R)-
- (2R)-3-(4-chlorophenoxy)propane-1,2-diol
- 471UZB51YK
- UNII-471UZB51YK
Molecular Weight
202.63 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-07-28
- Modify:2025-01-25
Description
(R)-chlorphenesin is the (R)-enantiomer of chlorphenesin. It is an enantiomer of a (S)-chlorphenesin.
Chemical Structure Depiction
COD records with this CID as component
IUPAC
O3-(4-chlorophenyl)-sn-glycerol
(2R)-3-(4-chlorophenoxy)propane-1,2-diol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2/t8-/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
MXOAEAUPQDYUQM-MRVPVSSYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C1=CC(=CC=C1OC[C@@H](CO)O)Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H11ClO3
Computed by PubChem 2.1 (PubChem release 2021.05.07)
112652-61-6
- (R)-chlorphenesin
- Chlorphenesin, (R)-
- (2R)-3-(4-chlorophenoxy)propane-1,2-diol
- 471UZB51YK
- UNII-471UZB51YK
- 112652-61-6
- (R)-glycerol alpha-p-chlorophenyl ether
- (R)-p-chlorophenyl-alpha-glyceryl ether
- (2R)-3-(4-chlorophenoxy)-1,2-propanediol
- (2R)-3-(p-chlorophenoxy)-1,2-propanediol
- (2R)-3-(p-chlorophenoxy)propane-1,2-diol
- SCHEMBL21194
- CHEBI:59479
- PD132884
- EN300-27115298
- Q27126732
- ,2-PROPANEDIOL, 3-(4-CHLOROPHENOXY)-, (2R)-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
202.63 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
1.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
202.0396719 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
202.0396719 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
49.7 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
135
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
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 2021.05.07)
Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
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.
Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=MXOAEAUPQDYUQM-MRVPVSSYSA-N
- ChEBI(R)-chlorphenesinhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59479
- ChemIDplusChlorphenesin, (R)-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0112652616ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingCHLORPHENESIN, (R)-https://gsrs.ncats.nih.gov/ginas/app/beta/substances/471UZB51YK
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/P-Chlorophenyl
- Wikidata(R)-chlorphenesinhttps://www.wikidata.org/wiki/Q27126732
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 390333545https://pubchem.ncbi.nlm.nih.gov/substance/390333545
CONTENTS