Methyl-4-hydroxyphenyl acetate
PubChem CID: 19848408
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| Compound Synonyms | 4-HYDROXY-2-METHYLPHENYL ACETATE, 648439-27-4, SCHEMBL1922225, RPBYFWCDWKXDJU-UHFFFAOYSA-N, METHYL-4-HYDROXYPHENYL ACETATE |
|---|---|
| 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 | (4-hydroxy-2-methylphenyl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C9H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RPBYFWCDWKXDJU-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.629 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.432 |
| Compound Name | Methyl-4-hydroxyphenyl acetate |
| 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 | -1.9146912 |
| Inchi | InChI=1S/C9H10O3/c1-6-5-8(11)3-4-9(6)12-7(2)10/h3-5,11H,1-2H3 |
| Smiles | CC1=C(C=CC(=C1)O)OC(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abutilon Theophrasti (Plant) Rel Props:Source_db:cmaup_ingredients