3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione

C19H14F3NO6 — CID 110581416

IUPAC3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC(F)(F)F)c3)C2=O)cc1OC
InChIInChI=1S/C19H14F3NO6/c1-27-13-7-6-10(8-14(13)28-2)15-16(24)18(26)23(17(15)25)11-4-3-5-12(9-11)29-19(20,21)22/h3-9,24H,1-2H3
InChIKeyUCCRTZNTSZNLLT-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.44
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione

3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (PubChem CID 110581416) has the molecular formula C19H14F3NO6 and a molecular weight of 409.32 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
PubChem CID110581416
Molecular FormulaC19H14F3NO6
Molecular Weight409.32 g/mol
Exact Mass409.08
IUPAC Name3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC(F)(F)F)c3)C2=O)cc1OC
InChIInChI=1S/C19H14F3NO6/c1-27-13-7-6-10(8-14(13)28-2)15-16(24)18(26)23(17(15)25)11-4-3-5-12(9-11)29-19(20,21)22/h3-9,24H,1-2H3
InChIKeyUCCRTZNTSZNLLT-UHFFFAOYSA-N
XLogP3.44
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-(4-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581944
3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581547
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110581509
1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584393
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110581161
3-(3,4-dimethoxyphenyl)-4-(2-hydroxyethylsulfanyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110563806
1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582313
3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582215
1-(4-butylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581499
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110581418
1-(3-methoxyphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110593979
1-(3-chloro-4-methoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580965

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (CID 110581416) is 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is COc1ccc(C2=C(O)C(=O)N(c3cccc(OC(F)(F)F)c3)C2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is UCCRTZNTSZNLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO6/c1-27-13-7-6-10(8-14(13)28-2)15-16(24)18(26)23(17(15)25)11-4-3-5-12(9-11)29-19(20,21)22/h3-9,24H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 409.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110581416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).