Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID901005797

Structure

InChI Key ZTULFNZHLNQJQG-UHFFFAOYSA-N
Smiles OC=1C(=CC(=CC1C(C=2C=CC=CC2C)C)C(C=3C=CC=CC3C)C)C(C=4C=CC=CC4C)C
InChI
InChI=1/C33H36O/c1-21-13-7-10-16-28(21)24(4)27-19-31(25(5)29-17-11-8-14-22(29)2)33(34)32(20-27)26(6)30-18-12-9-15-23(30)3/h7-20,24-26,34H,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H36O
Molecular Weight 448.28
AlogP 8.77
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 20.23
Molecular species None
Aromatic Rings 4.0
Heavy Atoms 34.0

Cross References

Resources Reference
CAS NUMBER 85305-20-0
NORMAN SUSDAT
PubChem 3020609