3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one

C16H17NO — CID 105113496

IUPAC3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccccc1CCC(=O)c1cnccc1C
InChIInChI=1S/C16H17NO/c1-12-5-3-4-6-14(12)7-8-16(18)15-11-17-10-9-13(15)2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyWCBXTZXYWWCYAX-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.51
Rot. Bonds4

About 3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one

3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one (PubChem CID 105113496) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
PubChem CID105113496
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccccc1CCC(=O)c1cnccc1C
InChIInChI=1S/C16H17NO/c1-12-5-3-4-6-14(12)7-8-16(18)15-11-17-10-9-13(15)2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyWCBXTZXYWWCYAX-UHFFFAOYSA-N
XLogP3.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 90102883
4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one
CID 106677539
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 114877328
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 105113394
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
3-(2-methylphenyl)-1-(2,3,4-trifluorophenyl)propan-1-one
CID 105099017
methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate
CID 54547746
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 115115729

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one (CID 105113496) is 3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one is Cc1ccccc1CCC(=O)c1cnccc1C.
What is the InChIKey of 3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one?
The InChIKey is WCBXTZXYWWCYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-5-3-4-6-14(12)7-8-16(18)15-11-17-10-9-13(15)2/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one?
3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 105113496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).