1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one

C22H20ClNO — CID 118048453

IUPAC1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Cc2cc(C)nc(-c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C22H20ClNO/c1-15-10-19(12-18-8-6-17(7-9-18)11-16(2)25)13-22(24-15)20-4-3-5-21(23)14-20/h3-10,13-14H,11-12H2,1-2H3
InChIKeyOHQKSZFFYNGQAV-UHFFFAOYSA-N
MW349.86 g/mol
LogP5.43
Rot. Bonds5

About 1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one

1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one (PubChem CID 118048453) has the molecular formula C22H20ClNO and a molecular weight of 349.86 g/mol. Its IUPAC name is 1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one
PubChem CID118048453
Molecular FormulaC22H20ClNO
Molecular Weight349.86 g/mol
Exact Mass349.12
IUPAC Name1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Cc2cc(C)nc(-c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C22H20ClNO/c1-15-10-19(12-18-8-6-17(7-9-18)11-16(2)25)13-22(24-15)20-4-3-5-21(23)14-20/h3-10,13-14H,11-12H2,1-2H3
InChIKeyOHQKSZFFYNGQAV-UHFFFAOYSA-N
XLogP5.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.86
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)propan-2-one
CID 2734097
2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one
CID 161001893
2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]methyl]phenyl]ethanol
CID 90338480
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine
CID 118600805
ethyl 2-benzyl-6-(3-chlorophenyl)-4-methylpyridine-3-carboxylate
CID 175029958
4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine
CID 139199162
1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one
CID 163630604
methyl 4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]benzoate;hydrochloride
CID 159596067
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide
CID 163659362

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one (CID 118048453) is 1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one is CC(=O)Cc1ccc(Cc2cc(C)nc(-c3cccc(Cl)c3)c2)cc1.
What is the InChIKey of 1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one?
The InChIKey is OHQKSZFFYNGQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO/c1-15-10-19(12-18-8-6-17(7-9-18)11-16(2)25)13-22(24-15)20-4-3-5-21(23)14-20/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one?
1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one has a molecular weight of 349.86 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one is sourced from PubChem (CID 118048453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).