3-(3-Hydroxypropyl)benzene-1,2-diol
PubChem CID: 18982198
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| Compound Synonyms | 3-(3-hydroxypropyl)benzene-1,2-diol, SCHEMBL1236262, AKOS006311307, EN300-1833952, 444994-87-0 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(3-hydroxypropyl)benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C9H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SZGDLYGGRGFSLD-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | 0.041 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.723 |
| Compound Name | 3-(3-Hydroxypropyl)benzene-1,2-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 168.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4075904000000001 |
| Inchi | InChI=1S/C9H12O3/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1,3,5,10-12H,2,4,6H2 |
| Smiles | C1=CC(=C(C(=C1)O)O)CCCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glaucium Oxylobum (Plant) Rel Props:Source_db:cmaup_ingredients