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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14193
CHEMBL14193
Compound Name 4-HYDROXYBENZALDEHYDE
ChEMBL Synonyms Para-Hydroxybenzaldehyde | p-hydroxybenzaldehyde
Max Phase 0
Trade Names
Molecular Formula C7H6O2

Additional synonyms for CHEMBL14193 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(C=O)cc1
Standard InChI InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
Standard InChI Key RGHHSNMVTDWUBI-UHFFFAOYSA-N

Structural Alerts

There are 6 structural alerts for CHEMBL14193. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL14193

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
122.1 122.0368 1.35 1 37.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.73 - 1.19 1.02 1 9 0.57

Compound Cross References

ChemSpider ChemSpider:RGHHSNMVTDWUBI-UHFFFAOYSA-N
PubChem SID: 124899140
Wikipedia 4-Hydroxybenzaldehyde

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14193



ACToR 123-08-0 65581-83-1
BindinDB 50177411
ChEBI 17597
DrugBank DB03560
eMolecules 481831
FDA SRS O1738X3Y38
Human Metabolome Database HMDB11718
IBM Patent System 91C1C1BE9F3A0B8E45C42FB9249C5CA7
IBM Patents WO2010076316A1 EP0229033A2 WO2000034240A1 US4348410 EP2240276A2 WO2006008250A2 EP0312268A2 US7501442 US4909964 US20080312153 WO2005062733A2 EP1805163A2 WO2007068308A1 WO1999043658A1 WO1999009979A1 US20050245759 US20100152156 EP1599202A1 US6429341 EP0240184A2 US5110221 US5273971 US20040132669 EP2214235A1 US5948587 EP1019364A2 WO1993009074A2 US4822788 US4125489 EP0553846B1 US5429904 US5834570 US5561153 WO1997039751A1 US6403504 WO2009043539A2 WO2004080481A1 EP0153826A2 US4994546 EP0225718A2 US5006403 EP1979324A2 EP0336605B1 EP0321236A2 US20030186985 EP0441605A2 EP0676062A1 WO2001044369A1 US4093415 US20070054818 US4983609 EP0811006B1 US20050239784 US5428048 US7524937 EP0000126A1 US4471140 US5994370 US4379841 US6437012 EP1768694A1 US6987123 WO2001021634A1 US7314937 EP0438825B1 EP1943303A2 US4764523 US6458843 EP1328508A2 US5554628 WO2009011674A1 EP0394949A2 EP0154446A2 US20080165237 WO1995021613A1 US5395978 EP0236880B1 US20090169765 US5583143 US4786709 EP1236726B1 US4965170 US4943511 US20010036590 WO2000042044A1 US4472416 US20070167629 US5492946 EP0623597A1 US20050163775 US20090142316 WO2008135131A1 US6635655 EP1947453A1 EP1654316A2 EP0792756A3 US7019109 EP1648455A2 US5116947 US20060270770
KEGG Ligand C00633
Mcule MCULE-3788300475
MolPort MolPort-000-871-206
Nikkaji J43.312H
NMRShiftDB 10005739
PDBe HBA
PubChem 126
PubChem: Thomson Pharma 14867231
SureChEMBL SCHEMBL37193
ZINC ZINC00156709

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