2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid

C28H25NO5 — CID 59145241

IUPAC2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCCn2cc(-c3ccccc3Oc3ccccc3)ccc2=O)c1
InChIInChI=1S/C28H25NO5/c30-27-16-15-22(25-13-4-5-14-26(25)34-23-10-2-1-3-11-23)19-29(27)17-7-9-21-8-6-12-24(18-21)33-20-28(31)32/h1-6,8,10-16,18-19H,7,9,17,20H2,(H,31,32)
InChIKeyMMJDISDRDMXDKK-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.40
Rot. Bonds10

About 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid

2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid (PubChem CID 59145241) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid
PubChem CID59145241
Molecular FormulaC28H25NO5
Molecular Weight455.51 g/mol
Exact Mass455.17
IUPAC Name2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCCn2cc(-c3ccccc3Oc3ccccc3)ccc2=O)c1
InChIInChI=1S/C28H25NO5/c30-27-16-15-22(25-13-4-5-14-26(25)34-23-10-2-1-3-11-23)19-29(27)17-7-9-21-8-6-12-24(18-21)33-20-28(31)32/h1-6,8,10-16,18-19H,7,9,17,20H2,(H,31,32)
InChIKeyMMJDISDRDMXDKK-UHFFFAOYSA-N
XLogP5.40
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid with MolForge

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Related Compounds

ethyl 2-[3-[4-(5-benzhydryl-2-oxo-1-pyridinyl)butyl]phenoxy]acetate
CID 59145226
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
2-[3-(14-iodotetradecyl)phenoxy]acetic acid
CID 118534007
2-[3-[2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)ethyl]phenoxy]acetic acid
CID 10094040
(2S)-2-[3-[4-(5-benzhydryl-2-oxo-1-pyridinyl)butyl]phenoxy]propanoic acid
CID 59145329
2-[3-(3-methylsulfonyloxypropyl)phenoxy]acetic acid
CID 87488256
2-[3-[3-(2-hydroxy-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid
CID 156719095
[3-[3-(5-benzhydryl-2-oxo-1-pyridinyl)propyl]phenyl] ethaneperoxoate
CID 87645085
3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid
CID 22686429
(2S)-2-[3-[3-(5-benzhydryl-2-oxo-1-pyridinyl)propyl]phenoxy]butanoic acid
CID 68536375
2-[3-[3-(4-hydroxy-3-methoxyphenyl)propyl]phenoxy]acetic acid
CID 156719126
2-[3-(4-trityloxybutyl)phenoxy]acetic acid
CID 21221283

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid (CID 59145241) is 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid is O=C(O)COc1cccc(CCCn2cc(-c3ccccc3Oc3ccccc3)ccc2=O)c1.
What is the InChIKey of 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid?
The InChIKey is MMJDISDRDMXDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO5/c30-27-16-15-22(25-13-4-5-14-26(25)34-23-10-2-1-3-11-23)19-29(27)17-7-9-21-8-6-12-24(18-21)33-20-28(31)32/h1-6,8,10-16,18-19H,7,9,17,20H2,(H,31,32).
What are the key properties of 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid?
2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid has a molecular weight of 455.51 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2-oxo-5-(2-phenoxyphenyl)-1-pyridinyl]propyl]phenoxy]acetic acid is sourced from PubChem (CID 59145241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).