4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one

C19H16ClNO4 — CID 67135129

IUPAC4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one
SMILESCOc1cc(-n2ccc(COc3ccc(Cl)cc3)cc2=O)ccc1O
InChIInChI=1S/C19H16ClNO4/c1-24-18-11-15(4-7-17(18)22)21-9-8-13(10-19(21)23)12-25-16-5-2-14(20)3-6-16/h2-11,22H,12H2,1H3
InChIKeyIDMPKECGDVKLSB-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.78
Rot. Bonds5

About 4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one

4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one (PubChem CID 67135129) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one
PubChem CID67135129
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one
SMILESCOc1cc(-n2ccc(COc3ccc(Cl)cc3)cc2=O)ccc1O
InChIInChI=1S/C19H16ClNO4/c1-24-18-11-15(4-7-17(18)22)21-9-8-13(10-19(21)23)12-25-16-5-2-14(20)3-6-16/h2-11,22H,12H2,1H3
InChIKeyIDMPKECGDVKLSB-UHFFFAOYSA-N
XLogP3.78
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenoxy)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 123451290
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-[(4-fluorophenyl)methoxy]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one;4-[(4-fluorophenyl)methoxy]-1-[4-(3-hydroxy-3-methylbutoxy)-3-methoxyphenyl]pyridin-2-one;3-methylbutane-1,3-diol
CID 160563044
4-[(4-chlorophenyl)methoxy]-1-[4-[2-(1-oxidopyrrolidin-1-ium-1-yl)ethoxy]phenyl]pyridin-2-one
CID 87451926
4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one
CID 58580238
4-[(4-chlorophenyl)methyl]-2-methoxyphenol
CID 174578571
[2-methoxy-4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl] trifluoromethanesulfonate
CID 59187052
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 58964911

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one (CID 67135129) is 4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one is COc1cc(-n2ccc(COc3ccc(Cl)cc3)cc2=O)ccc1O.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one?
The InChIKey is IDMPKECGDVKLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-24-18-11-15(4-7-17(18)22)21-9-8-13(10-19(21)23)12-25-16-5-2-14(20)3-6-16/h2-11,22H,12H2,1H3.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one?
4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one has a molecular weight of 357.79 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 67135129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).