Anthracene-1,8-diol
PubChem CID: 19786014
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| Compound Synonyms | ANTHRACENE-1,8-DIOL, 607-61-4, 1,8-dihydroxyanthracene, SCHEMBL430311, CHEMBL3277319, DTXSID90599897 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC3CCCCC3CC2C1 |
| Np Classifier Class | Naphthalenes and derivatives |
| Deep Smiles | Occcccc6cccc6)cccc6O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | C1CCC2CC3CCCCC3CC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | anthracene-1,8-diol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H10O2 |
| Scaffold Graph Node Bond Level | c1ccc2cc3ccccc3cc2c1 |
| Inchi Key | WUDFEXSJURUGSD-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,8-di-oh-anthracene |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | Anthracene-1,8-diol |
| Exact Mass | 210.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 210.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H10O2/c15-13-5-1-3-9-7-10-4-2-6-14(16)12(10)8-11(9)13/h1-8,15-16H |
| Smiles | C1=CC2=CC3=C(C=C2C(=C1)O)C(=CC=C3)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
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