p-Mentha-1,5-dien-8-ol
PubChem CID: 519323
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| Compound Synonyms | p-Mentha-1,5-dien-8-ol, 1686-20-0, 2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol, 2-(4-Methyl-2,4-cyclohexadienyl)-2-propanol, 2,4-Cyclohexadiene-1-methanol, .alpha.,.alpha.,4-trimethyl-, p-1,5-Menthadienol-8, .alpha.-Phellandren-8-ol, 1,5-p-Menthadien-8-ol, Mentha-1,5-diene-8-ol, p-1,5-Menthadien-8-ol, .alpha.-Phellandrene-8-ol, p-Menth-1,5-dien-8-ol, p-Mentha-1,5-diene-8-ol, para-Mentha-1,5-dien-8-ol, Phellandren-8-ol, .alpha.-, SCHEMBL3672407, DTXSID90333970, FQEXRDMYDXBXEO-UHFFFAOYSA-N, 2-(4-Methyl-2,4-cyclohexadien-1-yl)-2-propanol # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Monocyclic monoterpenoids |
| Deep Smiles | CC=CCCC=C6))CO)C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 199.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1=CCCC=C1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FQEXRDMYDXBXEO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Logs | -1.07 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.424 |
| Synonyms | p-menth-1,5-dien-8-ol, p-mentha- 1,5-dien-8-ol, p-mentha-1,5-dien 8-ol, p-mentha-1,5-dien-8-ol, p-mentha-1,5-dien-8-ol (α-phellandren-8-ol), p-mentha-1,5-diene-8-ol, p-mentha-1.5-dien-8-ol, α-phellandren-8-ol |
| Esol Class | Very soluble |
| Functional Groups | CC1=CCCC=C1, CO |
| Compound Name | p-Mentha-1,5-dien-8-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.8581694 |
| Inchi | InChI=1S/C10H16O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-6,9,11H,7H2,1-3H3 |
| Smiles | CC1=CCC(C=C1)C(C)(C)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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