3-Hydroxy-4-methoxyacetophenone
PubChem CID: 95693
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| Compound Synonyms | 6100-74-9, 1-(3-Hydroxy-4-methoxyphenyl)ethanone, 3'-Hydroxy-4'-methoxyacetophenone, isoacetovanillone, 3-Hydroxy-4-methoxyacetophenone, 4-Methoxy-3-hydroxyacetophenone, acetoisovanillone, 1-(3-hydroxy-4-methoxyphenyl)ethan-1-one, Ethanone, 1-(3-hydroxy-4-methoxyphenyl)-, 2-methoxy-5-acetylphenol, MFCD00182975, UNII-286G943O33, 4'-Methoxy-3'-hydroxyacetophenone, NSC-30050, 286G943O33, 5-ACETYL-2-METHOXYPHENOL, DTXSID80209872, NSC 30050, 1-(3-Hydroxy-4-methoxyphenyl)ethan-1-one (Acetoisovanillone), SCHEMBL660390, CHEBI:67899, 3-Hydroxy-4-methoxyacetophenone?, DTXCID30132363, NSC30050, s3210, STL573297, AKOS005255948, CS-W002484, FH42287, FS-3203, HY-W002484, 1-(3-hydroxy-4-methoxy-phenyl)ethanone, 3'-Hydroxy-4'-methoxyacetophenone, 97%, AC-15470, SY023193, 1-(3-Hydroxy-4-methoxyphenyl)ethanone #, DB-072883, EN300-216676, 1-(3-HYDROXY-4-METHOXYPHENYL)-1-ETHANONE, Q1674373, Z1255365043, 3 inverted exclamation mark -Hydroxy-4 inverted exclamation mark -methoxyacetophenone, 3 inverted exclamation marka-Hydroxy-4 inverted exclamation marka-methoxyacetophenone |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3-hydroxy-4-methoxyphenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YLTGFGDODHXMFB-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.518 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.385 |
| Compound Name | 3-Hydroxy-4-methoxyacetophenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 166.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8579911999999998 |
| Inchi | InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3 |
| Smiles | CC(=O)C1=CC(=C(C=C1)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Ferrugineum (Plant) Rel Props:Source_db:cmaup_ingredients