4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione

C18H12ClNO4 — CID 11067825

IUPAC4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione
SMILESO=C1NC(=O)C(c2ccccc2)=C(OCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H12ClNO4/c19-13-8-6-11(7-9-13)10-24-16-14(12-4-2-1-3-5-12)17(22)20-18(23)15(16)21/h1-9H,10H2,(H,20,22,23)
InChIKeyCWECUNMOWAUGEG-UHFFFAOYSA-N
MW341.75 g/mol
LogP2.49
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione

4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione (PubChem CID 11067825) has the molecular formula C18H12ClNO4 and a molecular weight of 341.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione
PubChem CID11067825
Molecular FormulaC18H12ClNO4
Molecular Weight341.75 g/mol
Exact Mass341.05
IUPAC Name4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione
SMILESO=C1NC(=O)C(c2ccccc2)=C(OCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H12ClNO4/c19-13-8-6-11(7-9-13)10-24-16-14(12-4-2-1-3-5-12)17(22)20-18(23)15(16)21/h1-9H,10H2,(H,20,22,23)
InChIKeyCWECUNMOWAUGEG-UHFFFAOYSA-N
XLogP2.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione
CID 139943473
3,4-diphenyl-2,5-bis[4-(phenylmethoxymethyl)phenyl]cyclopenta-2,4-dien-1-one
CID 102275235
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
methyl 4-[2-[(4-chlorophenyl)methoxy]phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846053
3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine
CID 6413361
(4-phenylmethoxyphenyl) 4-chlorobenzenesulfonate
CID 2799692
5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one
CID 114676469
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
(4-chlorophenyl)methyl 5-phenyl-2H-triazole-4-carboxylate
CID 100663799
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one
CID 3774397

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione (CID 11067825) is 4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione is O=C1NC(=O)C(c2ccccc2)=C(OCc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione?
The InChIKey is CWECUNMOWAUGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO4/c19-13-8-6-11(7-9-13)10-24-16-14(12-4-2-1-3-5-12)17(22)20-18(23)15(16)21/h1-9H,10H2,(H,20,22,23).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione?
4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione has a molecular weight of 341.75 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione is sourced from PubChem (CID 11067825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).