2-Ethoxy-5-methoxybenzaldehyde
PubChem CID: 586438
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| Compound Synonyms | 2-Ethoxy-5-methoxybenzaldehyde, 2-Ethoxy-5-methoxy-benzaldehyde, 39206-04-7, MFCD02380373, SCHEMBL20488634, 2-Ethoxy-5-methoxybenzaldehyde #, Benzaldehyde,-2-ethoxy-5-methoxy, VWELEPLJZIXGFW-UHFFFAOYSA-N, AKOS000299204, CS-0196309, E89631 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethoxy-5-methoxybenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VWELEPLJZIXGFW-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.761 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.199 |
| Compound Name | 2-Ethoxy-5-methoxybenzaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4711970615384615 |
| Inchi | InChI=1S/C10H12O3/c1-3-13-10-5-4-9(12-2)6-8(10)7-11/h4-7H,3H2,1-2H3 |
| Smiles | CCOC1=C(C=C(C=C1)OC)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients