5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one

C26H23NO5 — CID 140905434

IUPAC5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1cc(-c2cc(-c3ccccc3Oc3ccccc3)c[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C26H23NO5/c1-29-23-14-17(15-24(30-2)25(23)31-3)21-13-18(16-27-26(21)28)20-11-7-8-12-22(20)32-19-9-5-4-6-10-19/h4-16H,1-3H3,(H,27,28)
InChIKeyYZWBUZAXIDSNHI-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.53
Rot. Bonds7

About 5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one

5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one (PubChem CID 140905434) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one
PubChem CID140905434
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1cc(-c2cc(-c3ccccc3Oc3ccccc3)c[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C26H23NO5/c1-29-23-14-17(15-24(30-2)25(23)31-3)21-13-18(16-27-26(21)28)20-11-7-8-12-22(20)32-19-9-5-4-6-10-19/h4-16H,1-3H3,(H,27,28)
InChIKeyYZWBUZAXIDSNHI-UHFFFAOYSA-N
XLogP5.53
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
2-methoxy-6-(2-phenoxyphenyl)naphthalene
CID 173353712
6-(2-phenoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10137412
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one
CID 169219462
5-(2-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686402
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59812098
5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one
CID 103524193
2-(3,4,5-trimethoxyphenoxy)aniline
CID 11173411

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one (CID 140905434) is 5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one is COc1cc(-c2cc(-c3ccccc3Oc3ccccc3)c[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is YZWBUZAXIDSNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-29-23-14-17(15-24(30-2)25(23)31-3)21-13-18(16-27-26(21)28)20-11-7-8-12-22(20)32-19-9-5-4-6-10-19/h4-16H,1-3H3,(H,27,28).
What are the key properties of 5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one?
5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one has a molecular weight of 429.47 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 140905434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).