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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL202132
CHEMBL202132
Compound Name PARAHYDROXYBENZYL ALCOHOL
ChEMBL Synonyms Parahydroxybenzyl Alcohol | 4-Hydroxybenzyl Alcohol | P-Hydroxybenzyl Alcohol | 4-(Hydroxymethyl)Phenol
Max Phase 0
Trade Names
Molecular Formula C7H8O2

Additional synonyms for CHEMBL202132 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCc1ccc(O)cc1
Standard InChI InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
Standard InChI Key BVJSUAQZOZWCKN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL202132

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
124.1 124.0524 0.88 1 40.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.7 - .4 .4 1 9 0.58

Structural Alerts

There are no structural alerts for CHEMBL202132

Compound Cross References

ChemSpider ChemSpider:BVJSUAQZOZWCKN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL202132



ACToR 623-05-2
BindingDB 50177408
Brenda 2463 135498 21401
ChEBI 67410
ChemicalBook CB3224331
eMolecules 519765
EPA CompTox Dashboard DTXSID8073920
FDA SRS 1A3AH1FP1B
Human Metabolome Database HMDB0011724
IBM Patent System ED1EBA2D9CD5EEAB8E5BF50A7B4CE85F
KEGG Ligand C17467
Mcule MCULE-8377025602
Metabolights MTBLC67410
MolPort MolPort-000-139-973
Nikkaji J6.843H
NMRShiftDB 10024843
PubChem 125
PubChem: Thomson Pharma 14916018
Rhea 67410
SureChEMBL SCHEMBL62690
ZINC ZINC000000388762

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