2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one

C27H25F2NO5 — CID 50743716

IUPAC2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESCOc1cccc(CCN2C(=O)C(O)=C(c3ccccc3)C2c2ccc(OC(F)F)cc2)c1OC
InChIInChI=1S/C27H25F2NO5/c1-33-21-10-6-9-19(25(21)34-2)15-16-30-23(18-11-13-20(14-12-18)35-27(28)29)22(24(31)26(30)32)17-7-4-3-5-8-17/h3-14,23,27,31H,15-16H2,1-2H3
InChIKeyPTWHGLMJLOSWDB-UHFFFAOYSA-N
MW481.50 g/mol
LogP5.40
Rot. Bonds9

About 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one

2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one (PubChem CID 50743716) has the molecular formula C27H25F2NO5 and a molecular weight of 481.50 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
PubChem CID50743716
Molecular FormulaC27H25F2NO5
Molecular Weight481.50 g/mol
Exact Mass481.17
IUPAC Name2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESCOc1cccc(CCN2C(=O)C(O)=C(c3ccccc3)C2c2ccc(OC(F)F)cc2)c1OC
InChIInChI=1S/C27H25F2NO5/c1-33-21-10-6-9-19(25(21)34-2)15-16-30-23(18-11-13-20(14-12-18)35-27(28)29)22(24(31)26(30)32)17-7-4-3-5-8-17/h3-14,23,27,31H,15-16H2,1-2H3
InChIKeyPTWHGLMJLOSWDB-UHFFFAOYSA-N
XLogP5.40
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50743703
3-acetyl-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 46864406
(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 94071830
methyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-2-yl]benzoate
CID 50774303
1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
CID 67121528
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072838
methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate
CID 94073146
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774092
2-(4-ethylphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774223
(2S)-2-(4-chlorophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072815
2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 50774337
(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 94073057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one (CID 50743716) is 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one is COc1cccc(CCN2C(=O)C(O)=C(c3ccccc3)C2c2ccc(OC(F)F)cc2)c1OC.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The InChIKey is PTWHGLMJLOSWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2NO5/c1-33-21-10-6-9-19(25(21)34-2)15-16-30-23(18-11-13-20(14-12-18)35-27(28)29)22(24(31)26(30)32)17-7-4-3-5-8-17/h3-14,23,27,31H,15-16H2,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one has a molecular weight of 481.50 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 50743716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).