5K3
Summary
| Name: | 4-[(3S)-3-hydroxy-3-methoxypropyl]phenol |
| Formula: | C10 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 182.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(3S)-3-hydroxy-3-methoxypropyl]phenol |
| OpenEye OEToolkits | 1.7.6 | 4-[(3S)-3-methoxy-3-oxidanyl-propyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)CCC(O)OC |
| InChI | InChI | 1.03 | InChI=1S/C10H14O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,10-12H,4,7H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | WAQHVLNKHJYPKB-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H](O)CCc1ccc(O)cc1 |
| SMILES | CACTVS | 3.385 | CO[CH](O)CCc1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CO[C@@H](CCc1ccc(cc1)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC(CCc1ccc(cc1)O)O |
