3-Methylbiphenyl
PubChem CID: 12564
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| Compound Synonyms | 3-Methylbiphenyl, 643-93-6, 3-Phenyltoluene, 1-methyl-3-phenylbenzene, 3-Methyl-1,1'biphenyl, 1,1'-Biphenyl, 3-methyl-, 3-METHYL-1,1'-BIPHENYL, 3-Methyldiphenyl, m-Phenyltoluene, Biphenyl, 3-methyl-, m-Methylbiphenyl, (3-Methylphenyl)benzene, UNII-KFP6EO4J6P, KFP6EO4J6P, EINECS 211-404-3, 532427-37-5, DTXSID4060941, 3-Methyl-biphenyl, MFCD00008533, 1-methyl-3-phenyl-benzene, 3Phenyltoluene, 3-Phenyltoluene, 95%, 1,1'Biphenyl, 3methyl, DTXCID2044268, 3-methyl-1,1atrade markbiphenyl, 3-Phenyltoluene, 3-Methyldiphenyl, AKOS015842426, CS-W017792, FM69805, AS-13071, DB-031401, M0296, NS00022617, 1,1'-Biphenyl,3-methyl-,radical ion(1+)(9ci), A834740, Q27282235, 211-404-3 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-3-phenylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C13H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPDIDUXTRAITDE-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -4.947 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.915 |
| Compound Name | 3-Methylbiphenyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.379258723076923 |
| Inchi | InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3 |
| Smiles | CC1=CC(=CC=C1)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Meconopsis Punicea (Plant) Rel Props:Source_db:cmaup_ingredients