AC1O1DDD structure

AC1O1DDD

4-(3,4-dimethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

Also Known As: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one|(3Z)-4-(3,4-dimethoxyphenyl)-3-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-5-[2-(4-methoxyphenyl)ethyl]-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one|4-(3,4-dimethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(4-methoxyphenethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one|4-(3,4-dimethoxyphenyl)-3-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-5-[2-(4-methoxyphenyl)ethyl]-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one

CAS: 872867-36-2
Molecular Formula C30H31N3O5
Molecular Weight 513.2264 g/mol
LogP 5.21284
Topological Polar Surface Area 96.91 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 8
Exact Mass 513.2264
Monoisotopic Mass 513.2264
Heavy Atoms 38
Complexity 1492.7618

Chemical Identifiers

CAS Number 872867-36-2
SMILES CC1=CC(=C(C(=C1)C2=NNC3=C2C(N(C3=O)CCC4=CC=C(C=C4)OC)C5=CC(=C(C=C5)OC)OC)O)C

Product Overview

AC1O1DDD (CAS 872867-36-2), with molecular formula C30H31N3O5 and molecular weight 513.2264 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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