1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one

C19H16INO2 — CID 143591111

IUPAC1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
SMILESCc1cc(-n2ccc(OCc3ccccc3)cc2=O)ccc1I
InChIInChI=1S/C19H16INO2/c1-14-11-16(7-8-18(14)20)21-10-9-17(12-19(21)22)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyMEMHAUDVNDAOKA-UHFFFAOYSA-N
MW417.25 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one

1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one (PubChem CID 143591111) has the molecular formula C19H16INO2 and a molecular weight of 417.25 g/mol. Its IUPAC name is 1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
PubChem CID143591111
Molecular FormulaC19H16INO2
Molecular Weight417.25 g/mol
Exact Mass417.02
IUPAC Name1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
SMILESCc1cc(-n2ccc(OCc3ccccc3)cc2=O)ccc1I
InChIInChI=1S/C19H16INO2/c1-14-11-16(7-8-18(14)20)21-10-9-17(12-19(21)22)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyMEMHAUDVNDAOKA-UHFFFAOYSA-N
XLogP4.33
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
1-(1-methylindazol-5-yl)-4-phenylmethoxypyridin-2-one
CID 143723289
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169
1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 24780171
1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 53318595
[2-methoxy-4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl] trifluoromethanesulfonate
CID 59187052
1-[2-(2-hydroxyethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 69080163
1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 25055556
1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one
CID 162219045
1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 71080950
4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one
CID 91088883
1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride
CID 69096505

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one (CID 143591111) is 1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one is Cc1cc(-n2ccc(OCc3ccccc3)cc2=O)ccc1I.
What is the InChIKey of 1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one?
The InChIKey is MEMHAUDVNDAOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16INO2/c1-14-11-16(7-8-18(14)20)21-10-9-17(12-19(21)22)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of 1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one?
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one has a molecular weight of 417.25 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 143591111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).