4-hydroxyphenyl acetaldehyde   Click here for help

GtoPdb Ligand ID: 6635

Synonyms: p-hydroxyphenylacetaldehyde
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 37.3
Molecular weight 136.05
XLogP 1.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=CCc1ccc(cc1)O
Isomeric SMILES O=CCc1ccc(cc1)O
InChI InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2
InChI Key IPRPPFIAVHPVJH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(4-hydroxyphenyl)acetaldehyde
Synonyms Click here for help
p-hydroxyphenylacetaldehyde
Database Links Click here for help
CAS Registry No. 7339-87-9 (source: Scifinder)
ChEBI CHEBI:15621
GtoPdb PubChem SID 178103248
PubChem CID 440113
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