1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one

C18H21NO3 — CID 43823601

IUPAC1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2ncc(C)c(OC)c2C)cc1
InChIInChI=1S/C18H21NO3/c1-5-17(20)14-6-8-15(9-7-14)22-11-16-13(3)18(21-4)12(2)10-19-16/h6-10H,5,11H2,1-4H3
InChIKeyXOJWHLLVDQJGTD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.88
Rot. Bonds6

About 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one

1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one (PubChem CID 43823601) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one
PubChem CID43823601
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2ncc(C)c(OC)c2C)cc1
InChIInChI=1S/C18H21NO3/c1-5-17(20)14-6-8-15(9-7-14)22-11-16-13(3)18(21-4)12(2)10-19-16/h6-10H,5,11H2,1-4H3
InChIKeyXOJWHLLVDQJGTD-UHFFFAOYSA-N
XLogP3.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one with MolForge

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Related Compounds

(1S)-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 78933376
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968240
2-(hexadecanoylamino)-3-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propanoic acid
CID 68793705
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79163828
N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide
CID 89021599
2-[(4-methoxyphenoxy)methyl]-3,5-dimethylpyridin-4-amine
CID 103183021
4-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylcarbamoyl]phenoxy]benzamide
CID 56548346
1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one
CID 63984310
1-(4-propanoylphenoxy)pentan-2-one
CID 62043613
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one (CID 43823601) is 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2ncc(C)c(OC)c2C)cc1.
What is the InChIKey of 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one?
The InChIKey is XOJWHLLVDQJGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-5-17(20)14-6-8-15(9-7-14)22-11-16-13(3)18(21-4)12(2)10-19-16/h6-10H,5,11H2,1-4H3.
What are the key properties of 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one?
1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one has a molecular weight of 299.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 43823601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).