2-Phenylcyclohexene
PubChem CID: 13043
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| Compound Synonyms | 1-Phenyl-1-cyclohexene, 771-98-2, 1-Phenylcyclohexene, Cyclohexen-1-ylbenzene, Benzene, 1-cyclohexen-1-yl-, 2,3,4,5-tetrahydro-1,1'-biphenyl, 1-Phenylcyclohex-1-ene, Phenylcyclohexene, Cyclohexenylbenzene, 2-Phenylcyclohexene, Benzene, cyclohexenyl-, CYCLOHEXENE, 1-PHENYL-, cyclohex-1-en-1-ylbenzene, 31017-40-0, trans-1-Phenylcyclohexene, PM437BQ1OF, MFCD00001542, NSC-44834, NSC-403862, (cyclohex-1-en-1-yl)benzene, DTXSID10870771, 71340-36-8, 1-Cyclohexen-1-ylbenzene, cyclohex-1-enylbenzene, EINECS 212-242-6, Benzene,cyclohexen-1-yl-, NSC 44834, UNII-PM437BQ1OF, NSC 403862, BRN 1905772, AI3-02304, Phenyl cyclohexene, 1-Phenylcyclohexene, 2-Phenylcyclohexene, 3,4-Dihydro-1,1'-biphenyl, Cyclohex-1-en-1-ylbenzene, NSC 403862, NSC 44834, 1-Phenyl-cyclohexene, Phenyl-1-cyclohexene, 1-cyclohexenyl-benzene, 3-cyclohexen-1-yl-Benzene, 1-Cyclohexen-1-ylbenzene #, 1-Phenyl-1-cyclohexene, 95%, DTXCID00818465, CHEBI:183287, DTXSID201061095, AAA77198, NSC44834, ICCB1_000079, ICCB1_000095, NSC403862, AKOS005217002, CS-W016196, DS-12607, SY048999, DS-021655, NS00041773, P1302, EN300-205904, F13284, 1-Phenylcyclohexene, 3,4,5,6-Tetrahydrobiphenyl, Q27286630 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclohexen-1-ylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C12H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCMSFBRREKZZFL-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.522 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.752 |
| Compound Name | 2-Phenylcyclohexene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 158.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 158.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9790128 |
| Inchi | InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2 |
| Smiles | C1CCC(=CC1)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients