1.0 2010-04-08 22:09:56 UTC 2025-11-18 23:32:58 UTC FDB012006 Menadiol bissulfobenzoate Prothrombogenic vitamin Menadiol bissulfobenzoate C11H10O2 174.1959 174.068079564 2-methylnaphthalene-1,4-diol menadiol 481-85-6 CC1=C(O)C2=CC=CC=C2C(O)=C1 InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3 ZJTLZYDQJHKRMQ-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. Naphthols and derivatives Organic compounds Benzenoids Naphthalenes Naphthols and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Hydroquinones Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid 1-naphthol Aromatic homopolycyclic compound Hydrocarbon derivative Hydroquinone Organic oxygen compound Organooxygen compound a small molecule methylnaphthalenes naphthalenediols logp 2.22 ALOGPS logs -2.50 ALOGPS solubility 5.48e-01 g/l ALOGPS logp 2.87 ChemAxon pka_strongest_acidic 9.53 ChemAxon pka_strongest_basic -6 ChemAxon iupac 2-methylnaphthalene-1,4-diol ChemAxon average_mass 174.1959 ChemAxon mono_mass 174.068079564 ChemAxon smiles CC1=C(O)C2=CC=CC=C2C(O)=C1 ChemAxon formula C11H10O2 ChemAxon inchi InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3 ChemAxon inchikey ZJTLZYDQJHKRMQ-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 51.51 ChemAxon polarizability 18.51 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 28541 Specdb::MsMs 28542 Specdb::MsMs 28543 Specdb::MsMs 35099 Specdb::MsMs 35100 Specdb::MsMs 35101 Specdb::CMs 92639 Specdb::NmrOneD 342688 Specdb::NmrOneD 342689 Specdb::NmrOneD 342690 Specdb::NmrOneD 342691 Specdb::NmrOneD 342692 Specdb::NmrOneD 342693 Specdb::NmrOneD 342694 Specdb::NmrOneD 342695 Specdb::NmrOneD 342696 Specdb::NmrOneD 342697 Specdb::NmrOneD 342698 Specdb::NmrOneD 342699 Specdb::NmrOneD 342700 Specdb::NmrOneD 342701 Specdb::NmrOneD 342702 Specdb::NmrOneD 342703 Specdb::NmrOneD 342704 Specdb::NmrOneD 342705 Specdb::NmrOneD 342706 Specdb::NmrOneD 342707