4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one

C23H27NO3 — CID 177477097

IUPAC4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one
SMILESCCCCCC1C(c2ccccc2)=C(O)C(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C23H27NO3/c1-3-4-6-11-20-21(18-9-7-5-8-10-18)22(25)23(26)24(20)16-17-12-14-19(27-2)15-13-17/h5,7-10,12-15,20,25H,3-4,6,11,16H2,1-2H3
InChIKeyZLJIWRVAGJDMLO-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.96
Rot. Bonds8

About 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one

4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one (PubChem CID 177477097) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one
PubChem CID177477097
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one
SMILESCCCCCC1C(c2ccccc2)=C(O)C(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C23H27NO3/c1-3-4-6-11-20-21(18-9-7-5-8-10-18)22(25)23(26)24(20)16-17-12-14-19(27-2)15-13-17/h5,7-10,12-15,20,25H,3-4,6,11,16H2,1-2H3
InChIKeyZLJIWRVAGJDMLO-UHFFFAOYSA-N
XLogP4.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774223
(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072850
(2R)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94071792
(2S)-3-(4-chlorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94071913
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072874
2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50743703
(2S)-2-(2-ethoxyphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94071875
3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 67482667
(2S)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072923
3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 50743717
(2S)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072929
(2R)-1-benzyl-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94072786

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one (CID 177477097) is 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one is CCCCCC1C(c2ccccc2)=C(O)C(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one?
The InChIKey is ZLJIWRVAGJDMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-4-6-11-20-21(18-9-7-5-8-10-18)22(25)23(26)24(20)16-17-12-14-19(27-2)15-13-17/h5,7-10,12-15,20,25H,3-4,6,11,16H2,1-2H3.
What are the key properties of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one?
4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one has a molecular weight of 365.47 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 177477097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).