2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone

C17H19NO3 — CID 116751567

IUPAC2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
SMILESCOC(C(=O)c1cncc(OC(C)C)c1)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-12(2)21-15-9-14(10-18-11-15)16(19)17(20-3)13-7-5-4-6-8-13/h4-12,17H,1-3H3
InChIKeyXPJRWHSYQKUFMS-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.44
Rot. Bonds6

About 2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone

2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone (PubChem CID 116751567) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
PubChem CID116751567
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
SMILESCOC(C(=O)c1cncc(OC(C)C)c1)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-12(2)21-15-9-14(10-18-11-15)16(19)17(20-3)13-7-5-4-6-8-13/h4-12,17H,1-3H3
InChIKeyXPJRWHSYQKUFMS-UHFFFAOYSA-N
XLogP3.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 105124809
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 116565258
1-isoquinolin-4-yl-2-methoxy-2-phenylethanone
CID 116751473
2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 115794538
(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116581347
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794697
2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone
CID 103458173
(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794555

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone?
The IUPAC name of 2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone (CID 116751567) is 2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone is COC(C(=O)c1cncc(OC(C)C)c1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone?
The InChIKey is XPJRWHSYQKUFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(2)21-15-9-14(10-18-11-15)16(19)17(20-3)13-7-5-4-6-8-13/h4-12,17H,1-3H3.
What are the key properties of 2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone?
2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone has a molecular weight of 285.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone is sourced from PubChem (CID 116751567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).