3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one

C22H17NO2 — CID 67834371

IUPAC3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one
SMILESO=C1C(c2ccc(-c3ccccc3)cc2)=C(O)CN1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-20-15-23(19-9-5-2-6-10-19)22(25)21(20)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14,24H,15H2
InChIKeyXHOXJJLBZRNJNK-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.67
Rot. Bonds3

About 3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one

3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one (PubChem CID 67834371) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one
PubChem CID67834371
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one
SMILESO=C1C(c2ccc(-c3ccccc3)cc2)=C(O)CN1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-20-15-23(19-9-5-2-6-10-19)22(25)21(20)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14,24H,15H2
InChIKeyXHOXJJLBZRNJNK-UHFFFAOYSA-N
XLogP4.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one (CID 67834371) is 3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one is O=C1C(c2ccc(-c3ccccc3)cc2)=C(O)CN1c1ccccc1.
What is the InChIKey of 3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one?
The InChIKey is XHOXJJLBZRNJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-20-15-23(19-9-5-2-6-10-19)22(25)21(20)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14,24H,15H2.
What are the key properties of 3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one?
3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one has a molecular weight of 327.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 67834371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).