(3-Methyloxiran-2-yl)methanol
PubChem CID: 234485
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| Compound Synonyms | (3-methyloxiran-2-yl)methanol, 872-38-8, (3-Methyl-oxiran-2-yl)-methanol, 2,3-epoxybutanol, DTXSID401007398, 3-Methyl-2-oxiranemethanol, (3-Methyloxiran-2-yl)methanol, 2,3-Epoxy-1-butanol, 3-Methyloxiranemethanol, NSC 34457, , NSC34457, 2,3-epoxybutan-1-ol, (3-Methyl-2-oxiranyl)methanol, DTXCID70850559, QQHZNUPEBVRUFO-UHFFFAOYSA-N, (3-Methyl-2-oxiranyl)methanol #, 22520-28-1, NSC-34457, DB-088244, CS-0355118, rel-((2R,3R)-3-Methyloxiran-2-yl)methanol, EN300-268119, G75821, 822-626-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC1 |
| Deep Smiles | CCOC3CO |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Epoxides |
| Scaffold Graph Node Level | C1CO1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 53.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3-methyloxiran-2-yl)methanol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8O2 |
| Scaffold Graph Node Bond Level | C1CO1 |
| Inchi Key | QQHZNUPEBVRUFO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | (3-methyl-2-oxiranyl) methanol |
| Esol Class | Very soluble |
| Functional Groups | CC1OC1C, CO |
| Compound Name | (3-Methyloxiran-2-yl)methanol |
| Exact Mass | 88.0524 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.0524 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 88.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3 |
| Smiles | CC1C(O1)CO |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.931256