2-hydroxy-5-(4-hydroxyphenyl)-1H-phenalen-1-one
PubChem CID: 101651627
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| Compound Synonyms | 2-hydroxy-5-(4-hydroxyphenyl)-1H-phenalen-1-one, 2170020-69-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC(C3CCCCC3)CC3CCCC1C32 |
| Deep Smiles | Occcccc6))cccC=CO)C=O)cc6cc%10)ccc6 |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | OC1CCC2CC(C3CCCCC3)CC3CCCC1C32 |
| Classyfire Subclass | Phenylnaphthalenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-5-(4-hydroxyphenyl)phenalen-1-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H12O3 |
| Scaffold Graph Node Bond Level | O=C1C=Cc2cc(-c3ccccc3)cc3cccc1c23 |
| Inchi Key | OWLCEBLKTSXXFA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | emenolone |
| Esol Class | Moderately soluble |
| Functional Groups | cC=C(O)C(c)=O, cO |
| Compound Name | 2-hydroxy-5-(4-hydroxyphenyl)-1H-phenalen-1-one |
| Exact Mass | 288.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 288.3 |
| 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/C19H12O3/c20-15-6-4-11(5-7-15)13-8-12-2-1-3-16-18(12)14(9-13)10-17(21)19(16)22/h1-10,20-21H |
| Smiles | C1=CC2=CC(=CC3=C2C(=C1)C(=O)C(=C3)O)C4=CC=C(C=C4)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Musa Paradisiaca (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729