5-Methoxy-2,3-dimethylphenol
PubChem CID: 592450
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| Compound Synonyms | 5-Methoxy-2,3-dimethylphenol, 34883-01-7, 2,3-Dimethyl-5-methoxyphenol, Phenol, 5-methoxy-2,3-dimethyl-, SCHEMBL12586702, DTXSID10343819, 5-Methoxy-2,3-dimethylphenol #, HVDFMKSCPKILEQ-UHFFFAOYSA-N, MFCD00599731, ZB0727, AKOS016010972, DB-229404, G90771, InChI=1/C9H12O2/c1-6-4-8(11-3)5-9(10)7(6)2/h4-5,10H,1-3H |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccC)ccc6)O))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-2,3-dimethylphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | HVDFMKSCPKILEQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 5-methoxy-2,3-dimethylphenol |
| Esol Class | Soluble |
| Functional Groups | cO, cOC |
| Compound Name | 5-Methoxy-2,3-dimethylphenol |
| Exact Mass | 152.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 152.19 |
| 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/C9H12O2/c1-6-4-8(11-3)5-9(10)7(6)2/h4-5,10H,1-3H3 |
| Smiles | CC1=CC(=CC(=C1C)O)OC |
| 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/10.1080/10412905.2003.9712071