1.0 2020-03-10 17:01:40 UTC 2020-04-22 18:56:14 UTC BMDB0096129 BMDB96129 2-Isopropoxyphenol 2-(1-Methylethoxy)phenol O-Isopropoxyphenol 2-(1-Methylethoxy)-phenol 2-(Propan-2-yloxy)phenol Phenol, 2-isopropoxy C9H12O2 152.1904 152.083729628 2-(propan-2-yloxy)phenol 2-isopropoxyphenol 4812-20-8 CC(C)OC1=CC=CC=C1O InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3 ZNCUUYCDKVNVJH-UHFFFAOYSA-N belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Organic compounds Benzenoids Phenol ethers Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Hydrocarbon derivatives Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Aromatic homomonocyclic compound Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Aromatic homomonocyclic compounds aromatic ether phenols logp 2.27 ALOGPS logs -1.58 ALOGPS logp 2.29 ChemAxon pka_strongest_acidic 9.95 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-(propan-2-yloxy)phenol ChemAxon average_mass 152.1904 ChemAxon mono_mass 152.083729628 ChemAxon smiles CC(C)OC1=CC=CC=C1O ChemAxon formula C9H12O2 ChemAxon inchi InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3 ChemAxon inchikey ZNCUUYCDKVNVJH-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 43.67 ChemAxon polarizability 16.55 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 9387 Specdb::MsIr 9388 Specdb::MsIr 9389 Specdb::MsMs 110112 Specdb::MsMs 110113 Specdb::MsMs 110114 Specdb::MsMs 177708 Specdb::MsMs 177709 Specdb::MsMs 177710 Specdb::MsMs 2265243 Specdb::MsMs 2265244 Specdb::MsMs 2265245 Specdb::MsMs 3074310 Specdb::MsMs 3074311 Specdb::MsMs 3074312 Specdb::CMs 19217 Specdb::CMs 47565 Specdb::CMs 137379 Specdb::CMs 145113 Specdb::NmrOneD 49962 Specdb::NmrOneD 49963 Specdb::NmrOneD 49964 Specdb::NmrOneD 49965 Specdb::NmrOneD 49966 Specdb::NmrOneD 49967 Specdb::NmrOneD 49968 Specdb::NmrOneD 49969 Specdb::NmrOneD 49970 Specdb::NmrOneD 49971 Specdb::NmrOneD 49972 Specdb::NmrOneD 49973 Specdb::NmrOneD 49974 Specdb::NmrOneD 49975 Specdb::NmrOneD 49976 Specdb::NmrOneD 49977 Specdb::NmrOneD 49978 Specdb::NmrOneD 49979 Specdb::NmrOneD 49980 Specdb::NmrOneD 49981 19709 FDB111664 20949 38547