4-(3-Hydroxypropyl)benzene-1,2-diol
PubChem CID: 11217464
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| Compound Synonyms | 4-(3-hydroxypropyl)benzene-1,2-diol, 46118-02-9, 1,2-Benzenediol, 4-(3-hydroxypropyl)-, Phenylpropanol impurities, 4-(3-HYDROXY-PROPYL)-BENZENE-1,2-DIOL, MLS000876967, CHEMBL485747, MEGxp0_000680, SCHEMBL1234932, ACon1_001954, DTXSID10459000, DPTPQXXDBLPEOP-UHFFFAOYSA-N, HMS2269N17, BDBM50448446, 3-(3,4-dihydroxyphenyl)-1-propanol, AKOS006288840, NCGC00179968-01, SMR000440647, G90811, EN300-1725559 |
|---|---|
| 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 | 4-(3-hydroxypropyl)benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT48, NPT51, NPT94, NPT60 |
| Xlogp | -0.4 |
| Molecular Formula | C9H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DPTPQXXDBLPEOP-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.258 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.87 |
| Compound Name | 4-(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 | -0.8216904 |
| Inchi | InChI=1S/C9H12O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6,10-12H,1-2,5H2 |
| Smiles | C1=CC(=C(C=C1CCCO)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mucuna Pruriens (Plant) Rel Props:Source_db:cmaup_ingredients