Structure

InChI Key ZOZIRNMDEZKZHM-UHFFFAOYSA-N
Smiles O=C(Cc1ccccc1)OCCc1ccccc1
InChI
InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16O2
Molecular Weight 240.12
AlogP 3.02
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 26.3
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 102-20-5
NORMAN SUSDAT
FDA SRS 5J5OJ7GH15
PubChem 7601
ChemSpider 7319.0