Phenetole
PubChem CID: 7674
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| Compound Synonyms | PHENETOLE, Ethoxybenzene, 103-73-1, Benzene, ethoxy-, Ethyl phenyl ether, Phenyl ethyl ether, Benzene, ethoxy, Phenoxyethane, MFCD00009090, Ether, ethyl phenyl-, RB8LU2C57F, CHEBI:67129, NSC-406706, Phenylcthylether, A Phenoxyethane, Ether, ethyl phenyl, Ethoxybenzene, Ethyl phenyl ether, NSC 406706, Phenetol, Phenoxyethane, Phenyl ethyl ether, HSDB 112, EINECS 203-139-7, UNII-RB8LU2C57F, NSC 406706, ethoxy-benzene, Methyl anisole, AI3-05616, 1-Ethoxybenzene, Ethoxybenzene, 99%, PHENETOLE [MI], PHENETOLE [HSDB], EC 203-139-7, WLN: 2OR, SCHEMBL18492, CHEMBL499585, DTXSID7059278, NSC406706, STL282470, AKOS000120160, FP16118, PB47848, LS-13425, CS-0017190, E0043, NS00002877, EN300-16115, D78866, A800791, Q419340, F1908-0060, InChI=1/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 65.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethoxybenzene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C8H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DLRJIFUOBPOJNS-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Phenetole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 122.073 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 122.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 122.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.540068733333333 |
| Inchi | InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| Smiles | CCOC1=CC=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients