2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone

C16H17NO2 — CID 105083502

IUPAC2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H17NO2/c1-11-6-7-13(9-12(11)2)10-15(18)14-5-4-8-17-16(14)19-3/h4-9H,10H2,1-3H3
InChIKeyWMBPORAVALRVST-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.13
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone

2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone (PubChem CID 105083502) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
PubChem CID105083502
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H17NO2/c1-11-6-7-13(9-12(11)2)10-15(18)14-5-4-8-17-16(14)19-3/h4-9H,10H2,1-3H3
InChIKeyWMBPORAVALRVST-UHFFFAOYSA-N
XLogP3.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105083488
2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105079137
2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105078628
2-(2,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105088380
2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105092531
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 63527693
2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone
CID 63490949
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 116604407
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105128260
1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone (CID 105083502) is 2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone is COc1ncccc1C(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
The InChIKey is WMBPORAVALRVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-6-7-13(9-12(11)2)10-15(18)14-5-4-8-17-16(14)19-3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 105083502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).