methyl p-hydroxybenzoate   Click here for help

GtoPdb Ligand ID: 6273

Synonyms: methylparaben | nipagin
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 46.53
Molecular weight 152.05
XLogP 1.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC(=O)c1ccc(cc1)O
Isomeric SMILES COC(=O)c1ccc(cc1)O
InChI InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChI Key LXCFILQKKLGQFO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Methyl 4-hydroxybenzoate
Synonyms Click here for help
methylparaben | nipagin
Database Links Click here for help
CAS Registry No. 99-76-3 (source: SciFinder)
ChEBI CHEBI:31835
ChEMBL Ligand CHEMBL325372
DrugCentral Ligand 1766
GtoPdb PubChem SID 178102893
PubChem CID 7456
RCSB PDB Ligand MPB
Search Google for chemical match using the InChIKey LXCFILQKKLGQFO-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey LXCFILQKKLGQFO-UHFFFAOYSA-N
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Wikipedia Methylparaben