1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one

C22H22ClNO2 — CID 14621349

IUPAC1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one
SMILESCOc1ccc(Cl)c(-n2c(C(C)C)cc(=O)c(C)c2-c2ccccc2)c1
InChIInChI=1S/C22H22ClNO2/c1-14(2)19-13-21(25)15(3)22(16-8-6-5-7-9-16)24(19)20-12-17(26-4)10-11-18(20)23/h5-14H,1-4H3
InChIKeyOUQPMQNIIQGCPC-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.60
Rot. Bonds4

About 1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one

1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one (PubChem CID 14621349) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one
PubChem CID14621349
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one
SMILESCOc1ccc(Cl)c(-n2c(C(C)C)cc(=O)c(C)c2-c2ccccc2)c1
InChIInChI=1S/C22H22ClNO2/c1-14(2)19-13-21(25)15(3)22(16-8-6-5-7-9-16)24(19)20-12-17(26-4)10-11-18(20)23/h5-14H,1-4H3
InChIKeyOUQPMQNIIQGCPC-UHFFFAOYSA-N
XLogP5.60
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one (CID 14621349) is 1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one is COc1ccc(Cl)c(-n2c(C(C)C)cc(=O)c(C)c2-c2ccccc2)c1.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one?
The InChIKey is OUQPMQNIIQGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2/c1-14(2)19-13-21(25)15(3)22(16-8-6-5-7-9-16)24(19)20-12-17(26-4)10-11-18(20)23/h5-14H,1-4H3.
What are the key properties of 1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one?
1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one has a molecular weight of 367.88 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylpyridin-4-one is sourced from PubChem (CID 14621349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).