Compound: 1205-17-0
SMILES: O=CC(Cc1cc2OCOc2cc1)C
InChIKey: BOPPSUHPZARXTH-UHFFFAOYSA-N
Synonyms: 1205-17-0, Helional, 2-Methyl-3-(3,4-Methylenedioxyphenyl)Propanal, 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, Tropional, Heliobouquet, Helipropanal, 3-(3,4-methylenedioxyphenyl)-2-methylpropanal, ocean propanal, 1,3-Benzodioxole-5-propanal, .alpha.-methyl-, UNII-L65EG8H6PA, 1,3-Benzodioxole-5-propanal, alpha-methyl-, EINECS 214-881-6, alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde, NSC 22282, DTXSID7043908, NSC-22282, 3-(3,4-Methylenedioxyphenyl)-2-methyl-propanol, alpha-Methyl-1,3-benzodioxole-5-propanal, .alpha.-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde, DTXCID5023908, FEMA NO. 4599, METHYLENEDIOXYPHENYL METHYLPROPANAL, .ALPHA.-METHYL-1,3-BENZODIOXOLE-5-PROPANAL, .ALPHA.-METHYL-3,4-(METHYLENEDIOXY)HYDROCINNAMALDEHYDE, MMDHCA cpd, RefChem:92269, 2-Methyl-3-(3,4-methyenedioxyphenyl)propanal, METHYLENEDIOXYPHENYL METHYLPROPANAL [INCI], alpha-methyl-3,4-(methylenedioxy)hydrocinnamaldehyde, 2-Methyl-3-(3,4-methyenedioxyphenyl) propionaldehyde, alpha-methyl-3,4-(methylenedioxy) hydrocinnamaldehyde, alpha-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde, (+-)-3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL, 3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL, (+-)-, 214-881-6, BOPPSUHPZARXTH-UHFFFAOYSA-N, 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal, 2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal, MFCD00067053, L65EG8H6PA, Hydrocinnamaldehyde, .alpha.-methyl-3,4-(methylenedioxy)-, 3-(benzo[d][1,3]dioxol-5-yl)-2-methylpropanal, Floramelon, Heliofresh, Heliogan, 2-piperonyl propanal, alpha-Methyl-1,3-benzodioxole-5-propionaldehyde, 1, .alpha.-methyl-, 3-(1,3-benzodioxol-5-yl)-2-methyl-propanal, 3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanal, SCHEMBL112940, CHEMBL3183457, Hydrocinnamaldehyde, alpha-methyl-3,4-(methylenedioxy)-, SCHEMBL29353865, NSC22282, Tox21_301642, STL300759, 3-(5-Benzodioxolyl)-2-methylpropanal, AKOS015914177, FM40404, Hydrocinnamaldehyde,4-(methylenedioxy)-, ??-Methyl-1,3-benzodioxole-5-propanal, NCGC00255941-01, AS-15348, SY052437, CAS-1205-17-0, DB-041564, CS-0186664, M2404, NS00012851, ST50825331, D70501, 2-methyl-3-(3,4-methylenedioxy-phenyl)propanal, 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal #, a-Methyl-3,4-(methylenedioxy)hydrocinnamaldehyde, F225168, 3-(2H-benzo[d]1,3-dioxolan-5-yl)-2-methylpropanal, Q16511833, 2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal, >=98%, (+/-)-3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL, 3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL, (+/-)-
Theoretical properties:
molecular_formula: C11H12O3
molecular_weight: 192.21 g/mol
exact_mass: 192.078644241 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 14
topological_polar_surface_area: 35.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
density: 1.158-1.169
solubility: Insoluble
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Helional (from heliotropin, from which is it commonly derived) is a chemical compound used as a perfume in soap and laundry detergent. Its aroma is described as "watery, fresh, green, ozone, cyclamen, hay". Chemically it is an aldehyde with a hydrocinnamaldehyde motif; a structural element which is present in a number of other important commercial fragrances and odorants.