1.0 2010-04-08 22:07:59 UTC 2018-05-28 18:54:31 UTC FDB008250 (±)-4-Phenyl-2-butanol Flavouring ingredient C10H14O 150.2176 150.10446507 4-phenylbutan-2-ol 2-hydroxy-4-phenylbutane 2344-70-9 CC(O)CCC1=CC=CC=C1 InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3 GDWRKZLROIFUML-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Hydrocarbon derivatives Secondary alcohols Alcohol Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Secondary alcohol logp 2.49 ALOGPS logs -1.91 ALOGPS solubility 1.84e+00 g/l ALOGPS logp 2.36 ChemAxon pka_strongest_acidic 15.65 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac 4-phenylbutan-2-ol ChemAxon average_mass 150.2176 ChemAxon mono_mass 150.10446507 ChemAxon smiles CC(O)CCC1=CC=CC=C1 ChemAxon formula C10H14O ChemAxon inchi InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3 ChemAxon inchikey GDWRKZLROIFUML-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 46.65 ChemAxon polarizability 17.78 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16193 Specdb::CMs 29171 Specdb::CMs 42550 Specdb::CMs 100891 Specdb::CMs 137455 Specdb::CMs 145189 Specdb::MsIr 4730 Specdb::MsIr 4731 Specdb::MsIr 4732 Specdb::MsMs 59574 Specdb::MsMs 59575 Specdb::MsMs 59576 Specdb::MsMs 115740 Specdb::MsMs 115741 Specdb::MsMs 115742 Specdb::MsMs 2350363 Specdb::MsMs 2350364 Specdb::MsMs 2350365 Specdb::MsMs 2587936 Specdb::MsMs 2587937 Specdb::MsMs 2587938 Specdb::NmrOneD 19462 Specdb::NmrOneD 19463 Specdb::NmrOneD 19464 Specdb::NmrOneD 19465 Specdb::NmrOneD 19466 Specdb::NmrOneD 19467 Specdb::NmrOneD 19468 Specdb::NmrOneD 19469 Specdb::NmrOneD 19470 Specdb::NmrOneD 19471 Specdb::NmrOneD 19472 Specdb::NmrOneD 19473 Specdb::NmrOneD 19474 Specdb::NmrOneD 19475 Specdb::NmrOneD 19476 Specdb::NmrOneD 19477 Specdb::NmrOneD 19478 Specdb::NmrOneD 19479 Specdb::NmrOneD 19480 Specdb::NmrOneD 19481 HMDB31613 #<Reference:0x000055ce3204f438>