1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one

C18H14ClNO2 — CID 178047506

IUPAC1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one
SMILESO=c1ccn(-c2ccc(Cl)cc2)cc1OCc1ccccc1
InChIInChI=1S/C18H14ClNO2/c19-15-6-8-16(9-7-15)20-11-10-17(21)18(12-20)22-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeySEBWEAOHEORCAN-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.07
Rot. Bonds4

About 1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one

1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one (PubChem CID 178047506) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one
PubChem CID178047506
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one
SMILESO=c1ccn(-c2ccc(Cl)cc2)cc1OCc1ccccc1
InChIInChI=1S/C18H14ClNO2/c19-15-6-8-16(9-7-15)20-11-10-17(21)18(12-20)22-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeySEBWEAOHEORCAN-UHFFFAOYSA-N
XLogP4.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one
CID 67419599
2-[(4-chlorophenyl)-hydroxymethyl]-1-(2-hydroxyethyl)-3-phenylmethoxypyridin-4-one
CID 21474316
1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
CID 4607667
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one
CID 6482123
1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine
CID 3953341
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
(5Z)-5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126338228
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one (CID 178047506) is 1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one is O=c1ccn(-c2ccc(Cl)cc2)cc1OCc1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one?
The InChIKey is SEBWEAOHEORCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-15-6-8-16(9-7-15)20-11-10-17(21)18(12-20)22-13-14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one?
1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one has a molecular weight of 311.77 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 178047506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).