1-Ethyl-4-methoxybenzene
PubChem CID: 73690
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| Compound Synonyms | 4-Ethylanisole, 1-Ethyl-4-methoxybenzene, 1515-95-3, p-Ethylanisole, BENZENE, 1-ETHYL-4-METHOXY-, Anisole, p-ethyl-, p-Ethylanisol, 4-Ethylmethoxybenzene, UNII-I71P5QG20S, I71P5QG20S, NSC-5294, 1-methoxy-4-ethylbenzene, MFCD00015176, 1-methoxy-4-ethyl-benzene, P-ETHYLMETHOXYBENZENE, P-METHOXYETHYLBENZENE, DTXSID80164795, METHYL P-ETHYLPHENYL ETHER, NSC 5294, 4-ethyl-1-methoxybenzene, 4-Methoxy-1-ethylbenzene, 4-ethyl-anisole, 4-Ethyl anisole, NSC5294, 1-(4-methoxyphenyl)ethyl, 1-ethyl-4-methoxy-benzene, SCHEMBL30878, Benzene,1-ethyl-4-methoxy-, SCHEMBL8951726, DTXCID0087286, SCHEMBL12015213, DTXSID901312746, AKOS008948205, CS-W011060, LS-13647, SY048267, DB-043105, E0436, NS00021685, F14894, EN300-1250810, Q27280522, 36877-84-6, 604-805-3 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 82.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethyl-4-methoxybenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C9H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HDNRAPAFJLXKBV-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.39 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.896 |
| Compound Name | 1-Ethyl-4-methoxybenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9431027999999997 |
| Inchi | InChI=1S/C9H12O/c1-3-8-4-6-9(10-2)7-5-8/h4-7H,3H2,1-2H3 |
| Smiles | CCC1=CC=C(C=C1)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients