2-Amino-5-chloro-3,4-dimethoxybenzyl alcohol
PubChem CID: 191996
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| Compound Synonyms | (2-amino-5-chloro-3,4-dimethoxyphenyl)methanol, 2-Acda, 72000-60-3, 2-Amino-5-chloro-3,4-dimethoxybenzyl alcohol, DTXSID00222285, Benzenemethanol, 2-amino-5-chloro-3,4-dimethoxy-, DTXCID00144776 |
|---|---|
| Topological Polar Surface Area | 64.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-amino-5-chloro-3,4-dimethoxyphenyl)methanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C9H12ClNO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NWVKQZZOMOQIJL-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.849 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.77 |
| Compound Name | 2-Amino-5-chloro-3,4-dimethoxybenzyl alcohol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 217.051 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 217.051 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 217.65 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2409852571428566 |
| Inchi | InChI=1S/C9H12ClNO3/c1-13-8-6(10)3-5(4-12)7(11)9(8)14-2/h3,12H,4,11H2,1-2H3 |
| Smiles | COC1=C(C=C(C(=C1OC)N)CO)Cl |
| Nring | 12.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dysoxylum Binectariferum (Plant) Rel Props:Source_db:cmaup_ingredients