1-(4-Hydroxyphenyl)propane-1,2,3-triol
PubChem CID: 11095273
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| Compound Synonyms | 1-(4-hydroxyphenyl)propane-1,2,3-triol, threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol, p-hydroxyphenylglycerol, SCHEMBL7740121, CHEMBL1836129, CHEBI:173248, 1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 9CI, (+/-)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OCCCcccccc6))O)))))O))O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Phenols |
| Description | Constituent of Pinus sylvestris (Scotch pine) |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxyphenyl)propane-1,2,3-triol |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | -0.6 |
| Superclass | Benzenoids |
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | DGMSJCVOBYTYTE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 9CI, (±)-threo-form, 1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 9ci, 5,8-Dihydroquinoline-5,8-dione, 5,8-Quinolinedione, 1-(4-hydroxyphenyl)-1,2,3-propanetriol |
| Esol Class | Very soluble |
| Functional Groups | CO, cO |
| Compound Name | 1-(4-Hydroxyphenyl)propane-1,2,3-triol |
| Kingdom | Organic compounds |
| Exact Mass | 184.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 184.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2 |
| Smiles | C1=CC(=CC=C1C(C(CO)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Massoniana (Plant) Rel Props:Reference:ISBN:9788185042138