trans-p-Menth-2-ene-1,4-diol
PubChem CID: 300085
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| Compound Synonyms | trans-p-Menth-2-ene-1,4-diol, 40735-19-1, 1-methyl-4-(propan-2-yl)cyclohex-2-ene-1,4-diol, 1-methyl-4-propan-2-ylcyclohex-2-ene-1,4-diol, NSC174183, p-menth-2-ene-1,4-diol, 1,4-dihydroxy-p-menth-2-ene, trans-2-p-Menthene-1,4-diol, SCHEMBL11680562, DTXSID50306125, CHEBI:180236, WHOYVNZMAORLBI-UHFFFAOYSA-N, NSC-174183 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Thujane monoterpenoids |
| Deep Smiles | CCCO)CCCC=C6))C)O)))))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Prenol lipids |
| Description | Isolated from peppermint oil and Chenopodium ambroisioides. trans-p-Menth-2-ene-1,4-diol is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-propan-2-ylcyclohex-2-ene-1,4-diol |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O2 |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | WHOYVNZMAORLBI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | p-Menth-2-ene-1,4-diol, trans-form, trans-2-p-Menthene-1,4-diol, trans-p-Menth-2-ene-1,4-diol, trans-2-P-Menthene-1,4-diol, menth-2-ene-1,4-diol,trans-p-, p-menth-2-ene-1,4-diol |
| Substituent Name | Menthane monoterpenoid, Monocyclic monoterpenoid, Tertiary alcohol, Cyclic alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homomonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CC=CC, CO |
| Compound Name | trans-p-Menth-2-ene-1,4-diol |
| Kingdom | Organic compounds |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O2/c1-8(2)10(12)6-4-9(3,11)5-7-10/h4,6,8,11-12H,5,7H2,1-3H3 |
| Smiles | CC(C)C1(CCC(C=C1)(C)O)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700185 - 2. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Reference:ISBN:9788185042114