1.0 2020-03-10 17:01:15 UTC 2020-04-22 18:56:04 UTC BMDB0096103 BMDB96103 2,3-Dihydrobenzofuran Coumaran 2,3-Dihydro-1-benzofuran 2,3-Dihydro-benzofura 2,3-Dihydrobenzofurane Coumaran (2,3-dihydrobenzofuran) Dihydrobenzofuran Dihydrocoumarone Kumaran C8H8O 120.1485 120.057514878 2,3-dihydro-1-benzofuran 2,3-dihydrobenzofuran 496-16-2 [H]C1=C([H])C([H])=C2C(OC([H])([H])C2([H])[H])=C1[H] InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2 HBEDSQVIWPRPAY-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarans. Coumarans are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring. Organic compounds Organoheterocyclic compounds Coumarans Coumarans Alkyl aryl ethers Benzenoids Hydrocarbon derivatives Oxacyclic compounds Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Coumaran Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Aromatic heteropolycyclic compounds 1-benzofurans logp 2.16 ALOGPS logs -1.72 ALOGPS logp 1.86 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2,3-dihydro-1-benzofuran ChemAxon average_mass 120.1485 ChemAxon mono_mass 120.057514878 ChemAxon smiles [H]C1=C([H])C([H])=C2C(OC([H])([H])C2([H])[H])=C1[H] ChemAxon formula C8H8O ChemAxon inchi InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2 ChemAxon inchikey HBEDSQVIWPRPAY-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 35.83 ChemAxon polarizability 13.06 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 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::MsIr 2956 Specdb::MsIr 2957 Specdb::CMs 15389 Specdb::CMs 27925 Specdb::CMs 100063 Specdb::CMs 157117 Specdb::MsMs 69243 Specdb::MsMs 69244 Specdb::MsMs 69245 Specdb::MsMs 127473 Specdb::MsMs 127474 Specdb::MsMs 127475 Specdb::MsMs 2764335 Specdb::MsMs 2764336 Specdb::MsMs 2764337 Specdb::MsMs 2941483 Specdb::MsMs 2941484 Specdb::MsMs 2941485 Specdb::NmrOneD 99978 Specdb::NmrOneD 99979 Specdb::NmrOneD 99980 Specdb::NmrOneD 99981 Specdb::NmrOneD 99982 Specdb::NmrOneD 99983 Specdb::NmrOneD 99984 Specdb::NmrOneD 99985 Specdb::NmrOneD 99986 Specdb::NmrOneD 99987 Specdb::NmrOneD 99988 Specdb::NmrOneD 99989 Specdb::NmrOneD 99990 Specdb::NmrOneD 99991 Specdb::NmrOneD 99992 Specdb::NmrOneD 99993 Specdb::NmrOneD 99994 Specdb::NmrOneD 99995 Specdb::NmrOneD 99996 Specdb::NmrOneD 99997 FDB111651 21106522 87607 10329 C00039027