2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone

C16H17NO — CID 59293832

IUPAC2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)Cc1c(C)cncc1C
InChIInChI=1S/C16H17NO/c1-11-6-4-5-7-14(11)16(18)8-15-12(2)9-17-10-13(15)3/h4-7,9-10H,8H2,1-3H3
InChIKeyGJJYKUXDRMJGEM-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.43
Rot. Bonds3

About 2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone

2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone (PubChem CID 59293832) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone
PubChem CID59293832
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)Cc1c(C)cncc1C
InChIInChI=1S/C16H17NO/c1-11-6-4-5-7-14(11)16(18)8-15-12(2)9-17-10-13(15)3/h4-7,9-10H,8H2,1-3H3
InChIKeyGJJYKUXDRMJGEM-UHFFFAOYSA-N
XLogP3.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
CID 54911077
1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792581
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride
CID 50988132
2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid
CID 148915032
1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
1-(2-methylphenyl)-2-methylsulfanylethanone
CID 14815227
3-(2-methylphenyl)-3-oxopropanal
CID 15648082
5-methyl-1-(2-methylphenyl)hexane-1,4-dione
CID 58283906
1-(2-aminophenyl)-2-(2-methylphenyl)ethanone
CID 64832569

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone (CID 59293832) is 2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)Cc1c(C)cncc1C.
What is the InChIKey of 2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone?
The InChIKey is GJJYKUXDRMJGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-6-4-5-7-14(11)16(18)8-15-12(2)9-17-10-13(15)3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone?
2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone has a molecular weight of 239.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 59293832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).