1.0 2010-04-08 22:14:44 UTC 2019-11-26 03:18:14 UTC FDB019997 2-Isopropylfuran Constituent of carob (Ceratonia siliqua), coffee and Chinese quince fruit (Chaenomeles speciosa) aromas. 2-Isopropylfuran is found in coffee and coffee products and fruits. 2-(1-Methylethyl)furan, 9CI C7H10O 110.1537 110.073164942 2-(propan-2-yl)furan 2-isopropylfuran 10599-59-4 CC(C)C1=CC=CO1 InChI=1S/C7H10O/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3 AFOPCURQYRRFRQ-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle logp 2.82 ALOGPS logs -1.59 ALOGPS solubility 2.81e+00 g/l ALOGPS logp 2.2 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2-(propan-2-yl)furan ChemAxon average_mass 110.1537 ChemAxon mono_mass 110.073164942 ChemAxon smiles CC(C)C1=CC=CO1 ChemAxon formula C7H10O ChemAxon inchi InChI=1S/C7H10O/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3 ChemAxon inchikey AFOPCURQYRRFRQ-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 32.72 ChemAxon polarizability 12.72 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25022 Specdb::CMs 147536 Specdb::MsIr 8883 Specdb::MsIr 8884 Specdb::MsMs 321445 Specdb::MsMs 321446 Specdb::MsMs 321447 Specdb::MsMs 369079 Specdb::MsMs 369080 Specdb::MsMs 369081 Specdb::MsMs 2781139 Specdb::MsMs 2781140 Specdb::MsMs 2781141 Specdb::MsMs 2924767 Specdb::MsMs 2924768 Specdb::MsMs 2924769 Specdb::NmrOneD 39522 Specdb::NmrOneD 39523 Specdb::NmrOneD 39524 Specdb::NmrOneD 39525 Specdb::NmrOneD 39526 Specdb::NmrOneD 39527 Specdb::NmrOneD 39528 Specdb::NmrOneD 39529 Specdb::NmrOneD 39530 Specdb::NmrOneD 39531 Specdb::NmrOneD 39532 Specdb::NmrOneD 39533 Specdb::NmrOneD 39534 Specdb::NmrOneD 39535 Specdb::NmrOneD 39536 Specdb::NmrOneD 39537 Specdb::NmrOneD 39538 Specdb::NmrOneD 39539 Specdb::NmrOneD 39540 Specdb::NmrOneD 39541 HMDB40278 #<Reference:0x000055ce321ccfe0> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Fruits Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390