2-Hydroxy-3-methylanthraquinone
PubChem CID: 10889963
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| Compound Synonyms | 2-Hydroxy-3-methylanthraquinone, 17241-40-6, 2-Hydroxy-3-methylanthracene-9,10-dione, 2-Hydroxy-3-methylanthraquine, DTXSID20447312, 2-Methyl-3-hydroxyanthraquinone, 3-Hydroxy-2-methylanthraquinone, 2-Hydroxy-3-methyl-9,10-anthracenedione, 2-?Hydroxy-?3-?methyl-9,?10-anthracenedione, SCHEMBL6051235, CHEMBL3896634, DTXCID20398133, HY-N7160, AKOS015909671, 2-HYDROXY-3-METHYL ANTRAQUINONE, DA-69790, FS-10474, 2-hydroxy-3-methyl-anthracene-9,10-dione, CS-0103744, D85135 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-3-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RNJHIYAJJKOFIO-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -5.062 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.945 |
| Compound Name | 2-Hydroxy-3-methylanthraquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 238.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6248337333333334 |
| Inchi | InChI=1S/C15H10O3/c1-8-6-11-12(7-13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3 |
| Smiles | CC1=CC2=C(C=C1O)C(=O)C3=CC=CC=C3C2=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oldenlandia Diffusa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients