Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 956-89-8, Alpha,alpha-diphenyl-gamma-butyrolactone, 3,3-diphenyloxolan-2-one, Dihydro-3,3-diphenyl-2(3h)-furanone, Einecs 213-480-3, Mls001359823
Molecular Formula
C16H14O2
Molecular Weight
238.28  g/mol
InChI Key
IRQJWIUKHLVISG-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,3-diphenyloxolan-2-one
2.1.2 InChI
InChI=1S/C16H14O2/c17-15-16(11-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
2.1.3 InChI Key
IRQJWIUKHLVISG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 956-89-8

2. Alpha,alpha-diphenyl-gamma-butyrolactone

3. 3,3-diphenyloxolan-2-one

4. Dihydro-3,3-diphenyl-2(3h)-furanone

5. Einecs 213-480-3

6. Mls001359823

7. Schembl577105

8. Chembl1892419

9. Dtxsid00241895

10. Hms3021l04

11. 3,3-diphenyltetrahydrofuran-2-one

12. Zinc2563990

13. Mfcd00005393

14. Akos016009712

15. Ncgc00247300-01

16. 2(3h)-furanone, Dihydro-3,3-diphenyl-

17. Smr001224388

18. Db-057599

19. Ft-0606147

20. Alpha , Alpha -diphenyl- Gamma -butyrolactone

21. .alpha.,.alpha.-diphenyl-.gamma.-butyrolactone

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 238.28 g/mol
Molecular Formula C16H14O2
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass238.099379685 g/mol
Monoisotopic Mass238.099379685 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1