1.0 2016-09-30 22:48:44 UTC 2020-04-22 15:09:02 UTC BMDB0001896 BMDB01896 5-Methoxytryptophol Methoxytryptophol 5-Methoxy-1H-indole-3-ethanol 5-Methoxyindole-3-ethanol 5-Methoxytryptophol C11H13NO2 191.2264 191.094628665 2-(5-methoxy-1H-indol-3-yl)ethan-1-ol methoxytryptophol 712-09-4 COC1=CC=C2NC=C(CCO)C2=C1 InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3 QLWKTGDEPLRFAT-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles 3-alkylindoles Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Primary alcohols Substituted pyrroles 3-alkylindole Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Ether Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrrole Substituted pyrrole Aromatic heteropolycyclic compounds a small molecule Solid logp 1.84 ALOGPS logs -2.47 ALOGPS logp 1.44 ChemAxon pka_strongest_acidic 15.83 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2-(5-methoxy-1H-indol-3-yl)ethan-1-ol ChemAxon average_mass 191.2264 ChemAxon mono_mass 191.094628665 ChemAxon smiles COC1=CC=C2NC=C(CCO)C2=C1 ChemAxon formula C11H13NO2 ChemAxon inchi InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3 ChemAxon inchikey QLWKTGDEPLRFAT-UHFFFAOYSA-N ChemAxon polar_surface_area 45.25 ChemAxon refractivity 55.18 ChemAxon polarizability 20.86 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 1789 Specdb::NmrOneD 166602 Specdb::CMs 15406 Specdb::CMs 38175 Specdb::CMs 168181 Specdb::NmrTwoD 1729 Specdb::MsIr 1457 Specdb::MsIr 1458 Specdb::MsIr 1459 Specdb::MsMs 1813 Specdb::MsMs 1814 Specdb::MsMs 1815 Specdb::MsMs 300142 Specdb::MsMs 300143 Specdb::MsMs 300144 Specdb::MsMs 342343 Specdb::MsMs 342344 Specdb::MsMs 342345 Specdb::MsMs 2277908 Specdb::MsMs 2277909 Specdb::MsMs 2277910 Specdb::MsMs 3087046 Specdb::MsMs 3087047 Specdb::MsMs 3087048 12305 FDB022726 12835 114833 Tryptophol Taborsky, Robert G.; Delvigs, Peter. Synthesis of some substituted tryptophols of possible physiological importance and a study with 3-(2-acetoxyethyl)-5-methoxyindole (5-methoxytryptophol O-acetate) on sexual maturation. J. Med. Chem., 1966, 9 (2), pp 251–254 DOI: 10.1021/jm00320a028