Menthyl chavicol
PubChem CID: 70235324
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| Compound Synonyms | menthyl chavicol, SCHEMBL7945464, Q67880002 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Deep Smiles | C=CCcccccc6)CCCC)CCC6CC)C)))))))))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(C2CCCCC2)CC1 |
| Classyfire Subclass | Cyclohexylphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-methyl-2-propan-2-ylcyclohexyl)-4-prop-2-enylphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 6.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H28O |
| Scaffold Graph Node Bond Level | c1ccc(C2CCCCC2)cc1 |
| Inchi Key | BOJMMLBUFICTEZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | menthyl chavicol, methhyl chavicol, methil chavicol, methycavicol |
| Esol Class | Moderately soluble |
| Functional Groups | C=CC, cO |
| Compound Name | Menthyl chavicol |
| Exact Mass | 272.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 272.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H28O/c1-5-6-15-8-10-19(20)18(12-15)17-11-14(4)7-9-16(17)13(2)3/h5,8,10,12-14,16-17,20H,1,6-7,9,11H2,2-4H3 |
| Smiles | CC1CCC(C(C1)C2=C(C=CC(=C2)CC=C)O)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
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