1.0 2011-09-21 01:53:54 UTC 2018-05-02 11:42:45 UTC FDB029318 2-Hydroxyfluorene 2-Hydroxyfluorene (2-OHF) is a metabolite of fluorene. Fluorene is one of the most abundant polycyclic aromatic hydrocarbons (PAHs) throughout the gas phase in the environment, especially in tobacco smoke condensate. 2-OHF is an effective biomarker for evaluating the exposure to PAHs from smoking. It has been found in urine [HMDB] 2-Fluorenol 2-Hydroxy fluorene 9H-Fluoren-2-ol Fluoren-2-ol C13H10O 182.2179 182.073164942 9H-fluoren-2-ol 2-hydroxyfluorene 2443-58-5 OC1=CC2=C(C=C1)C1=CC=CC=C1C2 InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2 ZDOIAPGLORMKTR-UHFFFAOYSA-N belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. Fluorenes Organic compounds Benzenoids Fluorenes Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid Aromatic homopolycyclic compound Fluorene Hydrocarbon derivative Organic oxygen compound Organooxygen compound fluorenes Solid logp 3.45 ALOGPS logs -3.56 ALOGPS solubility 5.00e-02 g/l ALOGPS logp 3.44 ChemAxon pka_strongest_acidic 9.92 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 9H-fluoren-2-ol ChemAxon average_mass 182.2179 ChemAxon mono_mass 182.073164942 ChemAxon smiles OC1=CC2=C(C=C1)C1=CC=CC=C1C2 ChemAxon formula C13H10O ChemAxon inchi InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2 ChemAxon inchikey ZDOIAPGLORMKTR-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 56.85 ChemAxon polarizability 20.42 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2857 Specdb::MsIr 2858 Specdb::EiMs 356 Specdb::CMs 15587 Specdb::CMs 40074 Specdb::CMs 164695 Specdb::MsMs 13082 Specdb::MsMs 13083 Specdb::MsMs 13084 Specdb::MsMs 19754 Specdb::MsMs 19755 Specdb::MsMs 19756 Specdb::MsMs 2255267 Specdb::MsMs 2255287 Specdb::MsMs 2257231 Specdb::MsMs 2257361 Specdb::MsMs 2259185 Specdb::MsMs 2259368 Specdb::MsMs 2450488 Specdb::MsMs 2450489 Specdb::MsMs 2450490 Specdb::MsMs 2488581 Specdb::MsMs 2488582 Specdb::MsMs 2488583 HMDB13163