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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL152299
CHEMBL152299
Compound Name
ChEMBL Synonyms 1-Benzyloxymethylbenzene(Benzyl Ether)
Max Phase 0
Trade Names
Molecular Formula C14H14O

Additional synonyms for CHEMBL152299 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(OCc1ccccc1)c2ccccc2
Standard InChI InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h ...
Download InChI
Standard InChI Key MHDVGSVTJDSBDK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL152299

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
198.3 198.1045 3.4 4 9.23 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.46 3.46 2 15 0.73

Structural Alerts

There are no structural alerts for CHEMBL152299

Compound Cross References

ChemSpider ChemSpider:MHDVGSVTJDSBDK-UHFFFAOYSA-N
PubChem SID: 144208101 SID: 17389489

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL152299



ACToR 103-50-4
ChEBI 87411
ChemicalBook CB8258535
eMolecules 478216
EPA CompTox Dashboard DTXSID5025819
FDA SRS 2O6CNO27RJ
Human Metabolome Database HMDB0032078
IBM Patent System 7FDE08114FAEFD9797D448830384A38A
Mcule MCULE-1842855603
Metabolights MTBLC87411
MolPort MolPort-001-789-586
Nikkaji J1.181I
NMRShiftDB 10009084
PubChem 7657
PubChem: Thomson Pharma 15092131
SureChEMBL SCHEMBL27380
ZINC ZINC000001687322

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MHDVGSVTJDSBDK-UHFFFAOYSA-N spacer
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