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

C16H17NO3 — CID 82185238

IUPAC3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one
SMILESCOc1ccc(CCC(=O)c2ccccn2)cc1OC
InChIInChI=1S/C16H17NO3/c1-19-15-9-7-12(11-16(15)20-2)6-8-14(18)13-5-3-4-10-17-13/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyGFJASLKPTLWCNM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.91
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one (PubChem CID 82185238) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one
PubChem CID82185238
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one
SMILESCOc1ccc(CCC(=O)c2ccccn2)cc1OC
InChIInChI=1S/C16H17NO3/c1-19-15-9-7-12(11-16(15)20-2)6-8-14(18)13-5-3-4-10-17-13/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyGFJASLKPTLWCNM-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

1-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921510
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557870
3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185276
3-(4-butoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185267
3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
CID 86186012
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 45249482
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one (CID 82185238) is 3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one is COc1ccc(CCC(=O)c2ccccn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one?
The InChIKey is GFJASLKPTLWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-15-9-7-12(11-16(15)20-2)6-8-14(18)13-5-3-4-10-17-13/h3-5,7,9-11H,6,8H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one?
3-(3,4-dimethoxyphenyl)-1-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 3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 82185238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).