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4-Terpineol, (+)-

PubChem CID: 2724161

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Compound Synonyms (+)-Terpinen-4-ol, 2438-10-0, (+)-4-Terpineol, 4-Terpinenol, D-, (4S)-Terpinen-4-ol, 4-Terpineol, (+)-, 4-Carvomenthenol, (+)-, (S)-p-Menth-1-en-4-ol, (1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol, HZK34LN80N, p-Menth-1-en-4-ol, (S)-(+)-, (1S)-4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol, 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (S)-, 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (1S)-, (S)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol, (S)-1-Isopropyl-4-methylcyclohex-3-enol, (1S)-4-methyl-1-(propan-2-yl)cyclohex-3-en-1-ol, UNII-HZK34LN80N, S-Origanol, S-4-Carvomenthenol, MFCD00077431, (+)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene, (+)-p-Menth-1-en-4-ol, SCHEMBL5718779, WRYLYDPHFGVWKC-SNVBAGLBSA-N, (S)-(+)-p-Menth-1-en-4-ol, (+)-Terpinen-4-ol, analytical standard, (S)-1-isopropyl-4-methyl-cyclohex-3-enol, CS-0336248, NS00126440, T2581, (S)-1-isopropyl-4-methylcyclohex-3-en-1-ol, (+)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol, D92619, Q27280168, 3-Cyclohexen-1-ol,4-methyl-1-(1-methylethyl)-,(1S)-, 628-987-9
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 CC=CC[C@]CC6))O)CC)C
Heavy Atom Count 11.0
Classyfire Class Prenol lipids
Description Occurs in many essential oils, e.g. lavender
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 1.0
Iupac Name (1S)-4-methyl-1-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 2.2
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 WRYLYDPHFGVWKC-SNVBAGLBSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -2.14
Rotatable Bond Count 1.0
Logd 1.771
Synonyms (+)-Terpinen-4-ol, (S)-(+)-p-Menth-1-en-4-ol, (S)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol, (S)-p-Menth-1-en-4-ol, S-4-carvomenthenol, S-Origanol, (S)-(+)-P-Menth-1-en-4-ol, S-4-Carvomenthenol, (+) terpinen-4-ol, (+)-terpinen-4-ol
Esol Class Soluble
Functional Groups CC=C(C)C, CO
Compound Name 4-Terpineol, (+)-
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 -2.7841686
Inchi InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m1/s1
Smiles CC1=CC[C@@](CC1)(C(C)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

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