5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one

C21H17NO3S — CID 171480799

IUPAC5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one
SMILESO=C1C(c2ccsc2)=CC(O)(c2ccccc2)N1OCc1ccccc1
InChIInChI=1S/C21H17NO3S/c23-20-19(17-11-12-26-15-17)13-21(24,18-9-5-2-6-10-18)22(20)25-14-16-7-3-1-4-8-16/h1-13,15,24H,14H2
InChIKeyGLDOQORLANBCBG-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.95
Rot. Bonds5

About 5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one

5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one (PubChem CID 171480799) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one.

Molecular Properties

Compound Name5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one
PubChem CID171480799
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one
SMILESO=C1C(c2ccsc2)=CC(O)(c2ccccc2)N1OCc1ccccc1
InChIInChI=1S/C21H17NO3S/c23-20-19(17-11-12-26-15-17)13-21(24,18-9-5-2-6-10-18)22(20)25-14-16-7-3-1-4-8-16/h1-13,15,24H,14H2
InChIKeyGLDOQORLANBCBG-UHFFFAOYSA-N
XLogP3.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one
CID 171480806
3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one
CID 171480842
3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one
CID 171480821
ethyl 1-benzyl-2-thiophen-3-ylcycloprop-2-ene-1-carboxylate
CID 102153146
5-hydroxy-1-(4-methylphenyl)-3,5-diphenylpyrrol-2-one
CID 72546126
6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione
CID 71333879
2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one
CID 154722316
(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid
CID 57067292
3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione
CID 141397576
(2S)-4-phenyl-2-(4-thiophen-3-ylphenoxy)butanoic acid
CID 59214928
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione
CID 14198894

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one?
The IUPAC name of 5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one (CID 171480799) is 5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one.
What is the SMILES notation for 5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one?
The canonical SMILES for 5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one is O=C1C(c2ccsc2)=CC(O)(c2ccccc2)N1OCc1ccccc1.
What is the InChIKey of 5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one?
The InChIKey is GLDOQORLANBCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c23-20-19(17-11-12-26-15-17)13-21(24,18-9-5-2-6-10-18)22(20)25-14-16-7-3-1-4-8-16/h1-13,15,24H,14H2.
What are the key properties of 5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one?
5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one has a molecular weight of 363.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-phenyl-1-phenylmethoxy-3-thiophen-3-ylpyrrol-2-one is sourced from PubChem (CID 171480799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).