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p-Menth-3-en-1-ol

PubChem CID: 11468

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Compound Synonyms p-Menth-3-en-1-ol, 586-82-3, 1-Terpineol, 1-Terpinenol, 3-Terpinen-1-ol, 3-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, para-menth-3-en-1-ol, 1-methyl-4-propan-2-ylcyclohex-3-en-1-ol, 4-(Isopropyl)-1-methylcyclohex-3-en-1-ol, FEMA No. 3563, Terpinen-1-ol, E09RQ2NK3G, 1-Methyl-4-isopropyl-3-cyclohexen-1-ol, 4-Isopropyl-1-methyl-3-cyclohexen-1-ol, EINECS 209-585-9, xi-p-Menth-3-en-1-ol, 1-METHYL-4-(1-METHYLETHYL)-3-CYCLOHEXEN-1-OL, DTXSID40862245, 3-Cyclohexen-1-ol, 1-methyl-4-(1-methyethyl)-, P-MENTH-3-EN-1-OL [FHFI], (+/-)-P-MENTH-3-EN-1-OL, P-MENTH-3-EN-1-OL, (+/-)-, 1-METHYL-4-ISOPROPYLCYCLOHEX-3-ENOL, 1-methyl-4-(propan-2-yl)cyclohex-3-en-1-ol, UNII-E09RQ2NK3G, Terpineol-1, Terpin-3-en-1-ol, 4-isopropyl-1-methyl-cyclohex-3-en-1-ol, SCHEMBL1245680, DTXCID20811039, 4-Isopropyl-1-methyl-3-cyclohexen-1-ol #, DB-282925, NS00043058, EN300-6773342, Q27276701
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 Menthane monoterpenoids, Monocyclic monoterpenoids
Deep Smiles CCC=CCCCC6))C)O)))))C
Heavy Atom Count 11.0
Classyfire Class Prenol lipids
Description Constituent of oregano (Origanum vulgare), lime peel (Citrus aurantifolia) and mandarin peeland is) also present in grapefruit juice, cognac, wines, cocoa, black tea and cardamon. Flavouring agent. xi-p-Menth-3-en-1-ol is found in many foods, some of which are herbs and spices, cocoa and cocoa products, citrus, and tea.
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 170.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 2.0
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Gsk 4 400 Rule True
Molecular Formula C10H18O
Scaffold Graph Node Bond Level C1=CCCCC1
Prediction Swissadme 1.0
Inchi Key XJWZDXFFNOMMTD-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -2.169
Rotatable Bond Count 1.0
Logd 2.111
Synonyms 1-terpineol, p-menth-3-en-1-ol, p-menth-3-en-1-ol*, terpin-1-ol, terpinen- 1-0l, terpinen-1-ol, terpinenol
Esol Class Very soluble
Functional Groups CC=C(C)C, CO
Compound Name p-Menth-3-en-1-ol
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 154.136
Formal Charge 0.0
Monoisotopic Mass 154.136
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 154.25
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -1.9777685999999999
Inchi InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,8,11H,5-7H2,1-3H3
Smiles CC(C)C1=CCC(CC1)(C)O
Nring 1.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Menthane monoterpenoids
Np Classifier Superclass Monoterpenoids