3,4-Diethylbiphenyl
PubChem CID: 43551
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| Compound Synonyms | 3,4-DIETHYLBIPHENYL, 61141-66-0, 3,4-Diethyl-1,1'-biphenyl, 1,2-DIETHYL-4-PHENYL-BENZENE, 1,2-diethyl-4-phenylbenzene, 1,1'-Biphenyl, 3,4-diethyl-, 784C3X9HQB, UNII-784C3X9HQB, DTXSID90210035, ZTLWBQOFTIFRHI-UHFFFAOYSA-N, 3,4-Diethyl-1,1'-biphenyl #, AKOS030538220, AS-59299, NS00095849, D93537, Q27266636 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-diethyl-4-phenylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C16H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZTLWBQOFTIFRHI-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -6.276 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.649 |
| Compound Name | 3,4-Diethylbiphenyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 210.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.871483999999999 |
| Inchi | InChI=1S/C16H18/c1-3-13-10-11-16(12-14(13)4-2)15-8-6-5-7-9-15/h5-12H,3-4H2,1-2H3 |
| Smiles | CCC1=C(C=C(C=C1)C2=CC=CC=C2)CC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients