Text Search
Structure Search

3,3,6,6-tetramethyl-9-{4-[(2-methylphenyl)methoxy]phenyl}-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

3,3,6,6-tetramethyl-9-{4-[(2-methylphenyl)methoxy]phenyl}-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

CAS: 684238-37-7

Formula: C31H34O4

SMILES: CC1=C(COC2=CC=C(C=C2)C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)C=CC=C1

IUPAC: 3,3,6,6-tetramethyl-9-{4-[(2-methylphenyl)methoxy]phenyl}-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

InChI: InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3

Composition: C (79.12%), H (7.28%), O (13.60%)

Molar Mass: 470.609

Atom Count: 69

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 470.245709575
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey UEKIYVKPQNKSDI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 140.38
Topological Polar Surface Area 52.6
Polarizability 53.68
Ring Count 5
Rotatable Bond Count 4

Suppliers

No suppliers are currently stocking this item.