1.0 2020-03-10 16:59:58 UTC 2020-04-22 18:55:35 UTC BMDB0096025 BMDB96025 1-Hydroxypyrene 1-Hydroxy pyrene 1-Pyrenol Pyren-1-ol C16H12O 220.2659 220.088815006 1,5-dihydropyren-1-ol 1,5-dihydropyren-1-ol 5315-79-7 OC1C=CC2=CCC3=C4C(C=CC1=C24)=CC=C3 InChI=1S/C16H12O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-3,5-9,14,17H,4H2 CDYIVSAQQUIYKS-UHFFFAOYSA-N belongs to the class of organic compounds known as phenanthrols. Phenanthrols are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached. Organic compounds Benzenoids Phenanthrenes and derivatives Phenanthrols Phenanthrols Hydrocarbon derivatives Naphthalenes Phenalenes Secondary alcohols Alcohol Aromatic homopolycyclic compound Hydrocarbon derivative Naphthalene Organic oxygen compound Organooxygen compound Phenalen Phenanthrol Secondary alcohol Aromatic homopolycyclic compounds logp 3.43 ALOGPS logs -4.11 ALOGPS logp 3.05 ChemAxon pka_strongest_acidic 13.96 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 1,5-dihydropyren-1-ol ChemAxon average_mass 220.2659 ChemAxon mono_mass 220.088815006 ChemAxon smiles OC1C=CC2=CCC3=C4C(C=CC1=C24)=CC=C3 ChemAxon formula C16H12O ChemAxon inchi InChI=1S/C16H12O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-3,5-9,14,17H,4H2 ChemAxon inchikey CDYIVSAQQUIYKS-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 71.11 ChemAxon polarizability 24.36 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 13936 Specdb::CMs 40068 Specdb::MsMs 103878 Specdb::MsMs 103879 Specdb::MsMs 103880 Specdb::MsMs 170031 Specdb::MsMs 170032 Specdb::MsMs 170033 FDB029309 53481631 C14519 1-Hydroxypyrene