1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one

C16H17NO3 — CID 105097831

IUPAC1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
SMILESCOc1ccc(C(=O)CCc2ccccn2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-19-13-7-8-14(16(11-13)20-2)15(18)9-6-12-5-3-4-10-17-12/h3-5,7-8,10-11H,6,9H2,1-2H3
InChIKeyFLMJAQQSRQJPCF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.91
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one

1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one (PubChem CID 105097831) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
PubChem CID105097831
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
SMILESCOc1ccc(C(=O)CCc2ccccn2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-19-13-7-8-14(16(11-13)20-2)15(18)9-6-12-5-3-4-10-17-12/h3-5,7-8,10-11H,6,9H2,1-2H3
InChIKeyFLMJAQQSRQJPCF-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
3-(2,4-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698324
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
CID 105102243
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160
2-(2,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 42749556
(2,4-dimethoxyphenyl)-(6-pyridin-2-yl-2-pyridinyl)methanone
CID 135252418
2-anilino-1-(2,4-dimethoxyphenyl)ethanone
CID 94281074
pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
CID 43008926
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one (CID 105097831) is 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one is COc1ccc(C(=O)CCc2ccccn2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one?
The InChIKey is FLMJAQQSRQJPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-13-7-8-14(16(11-13)20-2)15(18)9-6-12-5-3-4-10-17-12/h3-5,7-8,10-11H,6,9H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one?
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one has a molecular weight of 271.32 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 105097831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).