(2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone

C17H19NO2 — CID 105128629

IUPAC(2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(C)nc1C
InChIInChI=1S/C17H19NO2/c1-4-11-20-16-8-6-5-7-15(16)17(19)14-10-9-12(2)18-13(14)3/h5-10H,4,11H2,1-3H3
InChIKeyXJDCIVQSOKSGKB-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.72
Rot. Bonds5

About (2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone

(2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone (PubChem CID 105128629) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone
PubChem CID105128629
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(C)nc1C
InChIInChI=1S/C17H19NO2/c1-4-11-20-16-8-6-5-7-15(16)17(19)14-10-9-12(2)18-13(14)3/h5-10H,4,11H2,1-3H3
InChIKeyXJDCIVQSOKSGKB-UHFFFAOYSA-N
XLogP3.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone
CID 105128622
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
(6-methoxypyridazin-3-yl)-(2-propoxyphenyl)methanone
CID 103373209
6-methyl-2-propoxypyridine-3-carboxylic acid
CID 62702426
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103125295
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone (CID 105128629) is (2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)c1ccc(C)nc1C.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone?
The InChIKey is XJDCIVQSOKSGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-11-20-16-8-6-5-7-15(16)17(19)14-10-9-12(2)18-13(14)3/h5-10H,4,11H2,1-3H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone?
(2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone has a molecular weight of 269.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 105128629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).