5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one

C24H21NO4 — CID 135002668

IUPAC5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one
SMILESCOc1ccc(N2C(=O)C(O)=C(c3ccccc3)C2(O)Cc2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-29-20-14-12-19(13-15-20)25-23(27)22(26)21(18-10-6-3-7-11-18)24(25,28)16-17-8-4-2-5-9-17/h2-15,26,28H,16H2,1H3
InChIKeyLZZHSJXZODRYDD-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.94
Rot. Bonds5

About 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one

5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one (PubChem CID 135002668) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one.

Molecular Properties

Compound Name5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one
PubChem CID135002668
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one
SMILESCOc1ccc(N2C(=O)C(O)=C(c3ccccc3)C2(O)Cc2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-29-20-14-12-19(13-15-20)25-23(27)22(26)21(18-10-6-3-7-11-18)24(25,28)16-17-8-4-2-5-9-17/h2-15,26,28H,16H2,1H3
InChIKeyLZZHSJXZODRYDD-UHFFFAOYSA-N
XLogP3.94
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one?
The IUPAC name of 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one (CID 135002668) is 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one.
What is the SMILES notation for 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one?
The canonical SMILES for 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one is COc1ccc(N2C(=O)C(O)=C(c3ccccc3)C2(O)Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one?
The InChIKey is LZZHSJXZODRYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-29-20-14-12-19(13-15-20)25-23(27)22(26)21(18-10-6-3-7-11-18)24(25,28)16-17-8-4-2-5-9-17/h2-15,26,28H,16H2,1H3.
What are the key properties of 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one?
5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one has a molecular weight of 387.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one is sourced from PubChem (CID 135002668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).