2-Methoxy-3-(3-methylbut-2-enyl)-5-phenylphenol
PubChem CID: 101324778
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Np Classifier Class | p-Terphenyls |
| Deep Smiles | COccCC=CC)C))))cccc6O)))cccccc6 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(C2CCCCC2)CC1 |
| Classyfire Subclass | Biphenyls and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-3-(3-methylbut-2-enyl)-5-phenylphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H20O2 |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccccc2)cc1 |
| Inchi Key | BPYROWNEDJMLOJ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | atylosol |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, cO, cOC |
| Compound Name | 2-Methoxy-3-(3-methylbut-2-enyl)-5-phenylphenol |
| Exact Mass | 268.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.3 |
| 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/C18H20O2/c1-13(2)9-10-15-11-16(12-17(19)18(15)20-3)14-7-5-4-6-8-14/h4-9,11-12,19H,10H2,1-3H3 |
| Smiles | CC(=CCC1=C(C(=CC(=C1)C2=CC=CC=C2)O)OC)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Terphenyls |
- 1. Outgoing r'ship
FOUND_INto/from Cajanus Trinervius (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788185042084