4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one

C28H27NO4 — CID 58366118

IUPAC4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one
SMILESCOCc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H27NO4/c1-18(2)26(30)24-25(23-12-8-7-11-21(23)17-33-3)29(28(32)27(24)31)22-15-13-20(14-16-22)19-9-5-4-6-10-19/h4-16,18,25,31H,17H2,1-3H3
InChIKeyBIRGLVPBXLMAEC-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.63
Rot. Bonds7

About 4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one

4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one (PubChem CID 58366118) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one
PubChem CID58366118
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Name4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one
SMILESCOCc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H27NO4/c1-18(2)26(30)24-25(23-12-8-7-11-21(23)17-33-3)29(28(32)27(24)31)22-15-13-20(14-16-22)19-9-5-4-6-10-19/h4-16,18,25,31H,17H2,1-3H3
InChIKeyBIRGLVPBXLMAEC-UHFFFAOYSA-N
XLogP5.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one
CID 58366047
4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(5-phenylthiophen-2-yl)-2H-pyrrol-5-one
CID 58366017
4-hydroxy-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2-[2-(propan-2-yloxymethyl)phenyl]-2H-pyrrol-5-one
CID 58365440
4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(3-methylbutanoyl)-1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2H-pyrrol-5-one
CID 58365891
4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-[4-(1,3-thiazol-4-yl)phenyl]-2H-pyrrol-5-one
CID 58365528
2-[2-(ethoxymethoxy)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
CID 58365495
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(methoxymethyl)phenyl]-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one
CID 58045348
4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-2H-pyrrol-5-one
CID 58365266
4-hydroxy-2-[2-[3-hydroxy-2-(hydroxymethyl)propoxy]phenyl]-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
CID 58365663
2-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-2-yl]benzonitrile
CID 58366083
4-hydroxy-2-(2-methoxy-3-pyridinyl)-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
CID 58365608
4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one
CID 58365902

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one (CID 58366118) is 4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one is COCc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one?
The InChIKey is BIRGLVPBXLMAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c1-18(2)26(30)24-25(23-12-8-7-11-21(23)17-33-3)29(28(32)27(24)31)22-15-13-20(14-16-22)19-9-5-4-6-10-19/h4-16,18,25,31H,17H2,1-3H3.
What are the key properties of 4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one?
4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one has a molecular weight of 441.53 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58366118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).