1.0 2010-04-08 22:04:48 UTC 2019-11-26 02:55:49 UTC FDB001036 2,3-Diisopropyl-5-methylphenol Constituent of the essential oil of Coridothymus capitatus (Spanish oregano). 2,3-Diisopropyl-5-methylphenol is found in herbs and spices. 5-Methyl-2,3-bis(1-methylethyl)phenol, 9CI 5,6-Diisopropyl-m-cresol C13H20O 192.2973 192.151415262 5-methyl-2,3-bis(propan-2-yl)phenol 2,3-diisopropyl-5-methylphenol 76138-68-6 CC(C)C1=CC(C)=CC(O)=C1C(C)C InChI=1S/C13H20O/c1-8(2)11-6-10(5)7-12(14)13(11)9(3)4/h6-9,14H,1-5H3 VCHHFAUHGLYASU-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cumenes Hydrocarbon derivatives Meta cresols Monocyclic monoterpenoids Organooxygen compounds Phenylpropanes Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Cumene Hydrocarbon derivative M-cresol Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-cymene Phenol Phenylpropane Toluene logp 4.17 ALOGPS logs -3.15 ALOGPS solubility 1.38e-01 g/l ALOGPS logp 4.67 ChemAxon pka_strongest_acidic 10.66 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 5-methyl-2,3-bis(propan-2-yl)phenol ChemAxon average_mass 192.2973 ChemAxon mono_mass 192.151415262 ChemAxon smiles CC(C)C1=CC(C)=CC(O)=C1C(C)C ChemAxon formula C13H20O ChemAxon inchi InChI=1S/C13H20O/c1-8(2)11-6-10(5)7-12(14)13(11)9(3)4/h6-9,14H,1-5H3 ChemAxon inchikey VCHHFAUHGLYASU-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 61.46 ChemAxon polarizability 23.6 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18525 Specdb::CMs 41575 Specdb::CMs 156415 Specdb::MsIr 3731 Specdb::MsIr 3732 Specdb::MsIr 3733 Specdb::MsMs 57708 Specdb::MsMs 57709 Specdb::MsMs 57710 Specdb::MsMs 113469 Specdb::MsMs 113470 Specdb::MsMs 113471 Specdb::MsMs 2707751 Specdb::MsMs 2707752 Specdb::MsMs 2707753 Specdb::MsMs 3000526 Specdb::MsMs 3000527 Specdb::MsMs 3000528 HMDB29825 #<Reference:0x000055ce32ff1e68> Herbs and Spices Unknown generic