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

C18H12F3NO5 — CID 110581547

IUPAC3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C18H12F3NO5/c1-26-13-8-3-2-7-12(13)14-15(23)17(25)22(16(14)24)10-5-4-6-11(9-10)27-18(19,20)21/h2-9,23H,1H3
InChIKeyYSENPGLKPUVWNY-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.44
Rot. Bonds4

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

3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (PubChem CID 110581547) has the molecular formula C18H12F3NO5 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
PubChem CID110581547
Molecular FormulaC18H12F3NO5
Molecular Weight379.29 g/mol
Exact Mass379.07
IUPAC Name3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C18H12F3NO5/c1-26-13-8-3-2-7-12(13)14-15(23)17(25)22(16(14)24)10-5-4-6-11(9-10)27-18(19,20)21/h2-9,23H,1H3
InChIKeyYSENPGLKPUVWNY-UHFFFAOYSA-N
XLogP3.44
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581416
1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581667
3-hydroxy-4-(4-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581944
1-(3,5-dimethylphenyl)-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581616
3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110583854
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110581161
4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide
CID 110581640
1-(3-methoxyphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110593979
3-chloro-1-(3-fluorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583846
3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110566783
7,18-bis[3-(trifluoromethoxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 59538412
3-(2-methoxyphenyl)-1-(3-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565222

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (CID 110581547) is 3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is COc1ccccc1C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)C1=O.
What is the InChIKey of 3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is YSENPGLKPUVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO5/c1-26-13-8-3-2-7-12(13)14-15(23)17(25)22(16(14)24)10-5-4-6-11(9-10)27-18(19,20)21/h2-9,23H,1H3.
What are the key properties of 3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 379.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110581547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).