1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one

C22H20FNO — CID 58267133

IUPAC1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
SMILESCc1ccc(F)c(CC(=O)Cc2ccc(-c3ccnc(C)c3)cc2)c1
InChIInChI=1S/C22H20FNO/c1-15-3-8-22(23)20(11-15)14-21(25)13-17-4-6-18(7-5-17)19-9-10-24-16(2)12-19/h3-12H,13-14H2,1-2H3
InChIKeyMEAKBLRHRQYEOA-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.86
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one

1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one (PubChem CID 58267133) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
PubChem CID58267133
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
SMILESCc1ccc(F)c(CC(=O)Cc2ccc(-c3ccnc(C)c3)cc2)c1
InChIInChI=1S/C22H20FNO/c1-15-3-8-22(23)20(11-15)14-21(25)13-17-4-6-18(7-5-17)19-9-10-24-16(2)12-19/h3-12H,13-14H2,1-2H3
InChIKeyMEAKBLRHRQYEOA-UHFFFAOYSA-N
XLogP4.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one (CID 58267133) is 1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one is Cc1ccc(F)c(CC(=O)Cc2ccc(-c3ccnc(C)c3)cc2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one?
The InChIKey is MEAKBLRHRQYEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c1-15-3-8-22(23)20(11-15)14-21(25)13-17-4-6-18(7-5-17)19-9-10-24-16(2)12-19/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one?
1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one has a molecular weight of 333.41 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one is sourced from PubChem (CID 58267133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).