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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2386190
CHEMBL2386190
Compound Name DIPHENYLMETHANOL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H12O

Additional synonyms for CHEMBL2386190 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1- ...
Download InChI
Standard InChI Key QILSFLSDHQAZET-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2386190

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
184.2 184.0888 2.77 2 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.55 - 2.49 2.49 2 14 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL2386190. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QILSFLSDHQAZET-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2386190



ACToR 91-01-0
Brenda 174458
ChemicalBook CB8417044
eMolecules 507311
EPA CompTox Dashboard DTXSID2059015
FDA SRS S4HQ1H8OWD
IBM Patent System EFCC021644A1C3816C347B78B9BF8C4A
Mcule MCULE-7008823241
MolPort MolPort-001-768-709
Nikkaji J3.920I
NMRShiftDB 20053267
PubChem 7037
PubChem: Thomson Pharma 15462741
SureChEMBL SCHEMBL41571
ZINC ZINC000001664716

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