1-(4-Hydroxyphenyl)-2-methoxyethanone
PubChem CID: 3015614
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| Compound Synonyms | 1-(4-hydroxyphenyl)-2-methoxyethanone, 32136-81-5, 1-(4-Hydroxyphenyl)-2-methoxyethan-1-one, 2-METHOXY-4'-HYDROXYACETOPHENONE, FA3P0U4OWZ, 2-Methoxy-1-(4-hydroxyphenyl)ethanone, Ethanone, 1-(4-hydroxyphenyl)-2-methoxy-, DTXSID30185915, 4-HYDROXY-.ALPHA.-METHOXYACETOPHENONE, EINECS 250-929-2, MFCD08461683, UNII-FA3P0U4OWZ, SCHEMBL863102, CHEMBL1761958, DTXCID70108406, AKOS015951218, DS-7860, 1-(4-hydroxy-phenyl)-2-methoxyethanone, 1-(4-Hydroxy-phenyl)-2-methoxy-ethanone, 4-HYDROXY-ALPHA-METHOXYACETOPHENONE, CS-0150201, NS00029218, C74644 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxyphenyl)-2-methoxyethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C9H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HUXGFSJRCMJOAK-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.579 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.058 |
| Compound Name | 1-(4-Hydroxyphenyl)-2-methoxyethanone |
| 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 | -1.9494912000000002 |
| Inchi | InChI=1S/C9H10O3/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3 |
| Smiles | COCC(=O)C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all