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

C16H17NO3 — CID 160513371

IUPAC1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(OCc2ccc(OC)cc2)ccn1
InChIInChI=1S/C16H17NO3/c1-3-16(18)15-10-14(8-9-17-15)20-11-12-4-6-13(19-2)7-5-12/h4-10H,3,11H2,1-2H3
InChIKeyQTIHGIKOMHBOPZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.26
Rot. Bonds6

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

1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one (PubChem CID 160513371) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one
PubChem CID160513371
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(OCc2ccc(OC)cc2)ccn1
InChIInChI=1S/C16H17NO3/c1-3-16(18)15-10-14(8-9-17-15)20-11-12-4-6-13(19-2)7-5-12/h4-10H,3,11H2,1-2H3
InChIKeyQTIHGIKOMHBOPZ-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-methoxy-4-[(4-methoxyphenyl)methoxy]pyridine
CID 70697685
[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256974
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
ethane;1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one
CID 169159103
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine
CID 176924118
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one
CID 174559518
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one (CID 160513371) is 1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one is CCC(=O)c1cc(OCc2ccc(OC)cc2)ccn1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one?
The InChIKey is QTIHGIKOMHBOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-16(18)15-10-14(8-9-17-15)20-11-12-4-6-13(19-2)7-5-12/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one?
1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]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-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 160513371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).