1-(4-Methoxyphenyl)propane-1,2-diol
PubChem CID: 3016654
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| Compound Synonyms | 1-(4-methoxyphenyl)propane-1,2-diol, 1-(4-Methoxyphenyl)-1,2-propanediol, 51410-48-1, 1,2-Propanediol, 1-(4-methoxyphenyl)-, threo-Anethole glycol, DTXSID00965726, 1-(p-Methoxyphenyl)-1,2-propanediol, 1,2-Propanediol, 1-(p-methoxyphenyl)-, Compound NP-014905, SCHEMBL3234807, CHEBI:181473, DTXCID501393388, ( not+/-)-erythro-Anethole glycol, AKOS023880767, DB-115853 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | MRDZSBVJWOXBRW-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | (1R*,2S*)-Anethole glycol, erythro-Anethole glycol, (±)-erythro-Anethole glycol, (1RS,2SR)-Anethole glycol, (1R*,2R*)-Anethole glycol, threo-Anethole glycol |
| Heavy Atom Count | 13.0 |
| Compound Name | 1-(4-Methoxyphenyl)propane-1,2-diol |
| Description | Isolated from Foeniculum vulgare (fennel). erythro-Anethole glycol is found in herbs and spices and anise. |
| Exact Mass | 182.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.094 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 182.22 |
| Database Name | fooddb_chem_all;npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-methoxyphenyl)propane-1,2-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3 |
| Smiles | CC(C(C1=CC=C(C=C1)OC)O)O |
| Xlogp | 0.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H14O3 |
- 1. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Source_db:fooddb_chem_all