4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one

C23H24ClNO4 — CID 123451290

IUPAC4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(COc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)C
InChIInChI=1S/C23H24ClNO4/c1-16(2)14-29-21-9-6-19(13-22(21)27-3)25-11-10-17(12-23(25)26)15-28-20-7-4-18(24)5-8-20/h4-13,16H,14-15H2,1-3H3
InChIKeyHKXKYQWFWFAYGA-UHFFFAOYSA-N
MW413.90 g/mol
LogP5.11
Rot. Bonds8

About 4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one

4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one (PubChem CID 123451290) has the molecular formula C23H24ClNO4 and a molecular weight of 413.90 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one
PubChem CID123451290
Molecular FormulaC23H24ClNO4
Molecular Weight413.90 g/mol
Exact Mass413.14
IUPAC Name4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(COc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)C
InChIInChI=1S/C23H24ClNO4/c1-16(2)14-29-21-9-6-19(13-22(21)27-3)25-11-10-17(12-23(25)26)15-28-20-7-4-18(24)5-8-20/h4-13,16H,14-15H2,1-3H3
InChIKeyHKXKYQWFWFAYGA-UHFFFAOYSA-N
XLogP5.11
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.90
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one
CID 67135129
4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one
CID 91088883
4-[(4-chlorophenoxy)methyl]-1-[4-[(Z)-2,3-dihydroxyprop-2-enoxy]-3-methylphenyl]pyridin-2-one
CID 70644356
4-[(4-chlorophenyl)sulfanylmethyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580291
4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580294
4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one
CID 58580238
1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one
CID 46911752
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one
CID 11510514
4-[2-(4-chlorophenyl)ethynyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 58579919
(4Z)-2-(4-chlorophenyl)-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-5-methylidenepyrazolidin-3-one
CID 2293570
[2-methoxy-4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl] trifluoromethanesulfonate
CID 59187052
1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 58580266

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one (CID 123451290) is 4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one is COc1cc(-n2ccc(COc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)C.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one?
The InChIKey is HKXKYQWFWFAYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO4/c1-16(2)14-29-21-9-6-19(13-22(21)27-3)25-11-10-17(12-23(25)26)15-28-20-7-4-18(24)5-8-20/h4-13,16H,14-15H2,1-3H3.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one?
4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one has a molecular weight of 413.90 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 123451290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).