diphenyltetrahydrofuran   Click here for help

GtoPdb Ligand ID: 2498

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 9.23
Molecular weight 224.12
XLogP 3.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc(cc1)C1(CCCO1)c1ccccc1
Isomeric SMILES c1ccc(cc1)C1(CCCO1)c1ccccc1
InChI InChI=1S/C16H16O/c1-3-8-14(9-4-1)16(12-7-13-17-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChI Key ONRSPOWNRLCCGF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,2-di(phenyl)oxolane
Database Links Click here for help
CAS Registry No. 887-15-0 (source: NCI)
ChEMBL Ligand CHEMBL1628716
GtoPdb PubChem SID 53801080
PubChem CID 70175
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UniChem Connectivity Search for chemical match using the InChIKey ONRSPOWNRLCCGF-UHFFFAOYSA-N