1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one

C16H17NO3 — CID 63984310

IUPAC1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cccc(OC)n2)cc1
InChIInChI=1S/C16H17NO3/c1-3-15(18)12-7-9-14(10-8-12)20-11-13-5-4-6-16(17-13)19-2/h4-10H,3,11H2,1-2H3
InChIKeyQLYCGLLKGGEHSV-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.26
Rot. Bonds6

About 1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one

1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one (PubChem CID 63984310) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one
PubChem CID63984310
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cccc(OC)n2)cc1
InChIInChI=1S/C16H17NO3/c1-3-15(18)12-7-9-14(10-8-12)20-11-13-5-4-6-16(17-13)19-2/h4-10H,3,11H2,1-2H3
InChIKeyQLYCGLLKGGEHSV-UHFFFAOYSA-N
XLogP3.26
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylphenoxy)methyl]-6-methoxypyridine
CID 64763644
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 106500459
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one
CID 79099502
1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
CID 82147468
1-(4-methoxyphenyl)-2-[4-[(6-methyl-2-pyridinyl)methoxy]pyridin-1-ium-1-yl]ethanone bromide
CID 87227255
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
1-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]propan-1-one
CID 139662711
2-ethyl-6-methoxypyridine;formic acid
CID 175480647
1-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]propan-1-one
CID 112787371
2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63992724
2-[(2,6-dimethylphenoxy)methyl]-6-methoxypyridine
CID 83057705

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one (CID 63984310) is 1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2cccc(OC)n2)cc1.
What is the InChIKey of 1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one?
The InChIKey is QLYCGLLKGGEHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-15(18)12-7-9-14(10-8-12)20-11-13-5-4-6-16(17-13)19-2/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one?
1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one has a molecular weight of 271.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 63984310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).