2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
PubChem CID: 19793
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| Compound Synonyms | 3910-35-8, 1,1,3-trimethyl-3-phenyl-2,3-dihydro-1H-indene, 1-Phenyl-1,3,3-trimethylindan, 1,1,3-Trimethyl-3-phenylindan, 1,3,3-Trimethyl-1-phenylindan, 1,1,3-trimethyl-3-phenyl-2H-indene, 1,1,3-Trimethyl-3-phenylindane, 1,3,3-Trimethyl-1-phenylindane, Indan, 1,1,3-trimethyl-3-phenyl-, 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-3-phenyl-, 1-PHENYL-1,3,3-TRIMETHYLINDANE, 2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene, NSC 11311, NSC 55135, T7TE1607F0, EINECS 223-467-4, NSC-11311, NSC-55135, 1,1,-Trimethyl-3-phenylindane, 1,3-Trimethyl-1-phenylindan, 1,3-Trimethyl-3-phenylindan, 1-Phenyl-1,3-trimethylindan, 1,3-Trimethyl-3-phenylindane, 1-Phenyl-1,3-trimethylindane, Indan,1,3-trimethyl-3-phenyl-, 2,1,3-trimethyl-3-phenyl-1H-indene, 1H-Indene,3-dihydro-1,1,3-trimethyl-3-phenyl-, UNII-T7TE1607F0, MFCD00021240, TRIMETHYL-3-PHENYLINDAN, DTXSID20863290, DAA91035, NSC11311, NSC55135, AKOS004907823, DS-5463, Indan, 1,1,3-trimethyl-3-phenyl-(8CI), CS-0153798, NS00002022, D71010, 2,3-dihydro-3-phenyl-1,1,3-trimethyl-1H-indene, Q27289781, 223-467-4 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,3-trimethyl-3-phenyl-2H-indene |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C18H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICLPNZMYHDVKKI-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -6.137 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.732 |
| Compound Name | 2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 236.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.279652933333333 |
| Inchi | InChI=1S/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3 |
| Smiles | CC1(CC(C2=CC=CC=C21)(C)C3=CC=CC=C3)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients