1.0 2010-04-08 22:15:15 UTC 2019-11-26 03:19:25 UTC FDB020773 4-Chloro-3,5-dimethoxybenzaldehyde Isolated from the mycelium of Hericium erinaceum (lions mane). 4-Chloro-3,5-dimethoxybenzaldehyde is found in mushrooms. 4-Chloro-3,5-dimethoxybenzaldehyde C9H9ClO3 200.619 200.024021861 4-chloro-3,5-dimethoxybenzaldehyde 4-chloro-3,5-dimethoxybenzaldehyde 56518-48-0 COC1=CC(C=O)=CC(OC)=C1Cl InChI=1S/C9H9ClO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3 GTEZQOCVTNORJP-UHFFFAOYSA-N belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. Dimethoxybenzenes Organic compounds Benzenoids Benzene and substituted derivatives Methoxybenzenes Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Aryl chlorides Benzaldehydes Benzoyl derivatives Chlorobenzenes Hydrocarbon derivatives Organic oxides Organochlorides Phenoxy compounds Aldehyde Alkyl aryl ether Anisole Aromatic homomonocyclic compound Aryl chloride Aryl halide Aryl-aldehyde Benzaldehyde Benzoyl Chlorobenzene Dimethoxybenzene Ether Halobenzene Hydrocarbon derivative M-dimethoxybenzene Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Phenol ether Phenoxy compound logp 2.30 ALOGPS logs -2.95 ALOGPS solubility 2.26e-01 g/l ALOGPS melting_point Mp 165-167° (118-120°) logp 1.97 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 4-chloro-3,5-dimethoxybenzaldehyde ChemAxon average_mass 200.619 ChemAxon mono_mass 200.024021861 ChemAxon smiles COC1=CC(C=O)=CC(OC)=C1Cl ChemAxon formula C9H9ClO3 ChemAxon inchi InChI=1S/C9H9ClO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3 ChemAxon inchikey GTEZQOCVTNORJP-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 50.37 ChemAxon polarizability 18.93 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11145 Specdb::CMs 147724 Specdb::MsIr 9096 Specdb::MsIr 9097 Specdb::MsMs 290581 Specdb::MsMs 290582 Specdb::MsMs 290583 Specdb::MsMs 330286 Specdb::MsMs 330287 Specdb::MsMs 330288 Specdb::MsMs 2351863 Specdb::MsMs 2351864 Specdb::MsMs 2351865 Specdb::MsMs 2583095 Specdb::MsMs 2583096 Specdb::MsMs 2583097 HMDB40932 #<Reference:0x000055ce31c51368> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322