(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone

C16H17NO2 — CID 113370085

IUPAC(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone
SMILESCOc1cc(C)c(C(=O)c2cccc(C)n2)cc1C
InChIInChI=1S/C16H17NO2/c1-10-9-15(19-4)11(2)8-13(10)16(18)14-7-5-6-12(3)17-14/h5-9H,1-4H3
InChIKeyRPKVRRVLXAESCF-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.25
Rot. Bonds3

About (4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone

(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone (PubChem CID 113370085) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone
PubChem CID113370085
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone
SMILESCOc1cc(C)c(C(=O)c2cccc(C)n2)cc1C
InChIInChI=1S/C16H17NO2/c1-10-9-15(19-4)11(2)8-13(10)16(18)14-7-5-6-12(3)17-14/h5-9H,1-4H3
InChIKeyRPKVRRVLXAESCF-UHFFFAOYSA-N
XLogP3.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127258
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
CID 12623269
(4-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 63554344
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
(4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone
CID 54170364
(4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone
CID 102950174
[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127292
(2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797667
(3-chloro-4-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 107559828
(2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone
CID 125388533
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 63553798

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone (CID 113370085) is (4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for (4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone is COc1cc(C)c(C(=O)c2cccc(C)n2)cc1C.
What is the InChIKey of (4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone?
The InChIKey is RPKVRRVLXAESCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-9-15(19-4)11(2)8-13(10)16(18)14-7-5-6-12(3)17-14/h5-9H,1-4H3.
What are the key properties of (4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone?
(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone has a molecular weight of 255.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 113370085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).