2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone

C18H21NO2 — CID 115786328

IUPAC2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2cccc(OC(C)C)c2)nc1
InChIInChI=1S/C18H21NO2/c1-4-14-8-9-16(19-12-14)11-18(20)15-6-5-7-17(10-15)21-13(2)3/h5-10,12-13H,4,11H2,1-3H3
InChIKeyFAFJQWTUTVTNFT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.86
Rot. Bonds6

About 2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone

2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone (PubChem CID 115786328) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone
PubChem CID115786328
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2cccc(OC(C)C)c2)nc1
InChIInChI=1S/C18H21NO2/c1-4-14-8-9-16(19-12-14)11-18(20)15-6-5-7-17(10-15)21-13(2)3/h5-10,12-13H,4,11H2,1-3H3
InChIKeyFAFJQWTUTVTNFT-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 79746330
1-(4-ethoxyphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786182
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103
3-amino-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116555955
1-(3-propan-2-yloxyphenyl)but-3-en-1-one
CID 116659453
4,4-dimethyl-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 114970108
butan-2-yl 3-propan-2-yloxybenzoate
CID 82186277
2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 158324541
4-oxo-4-(3-propan-2-yloxyphenyl)butanenitrile
CID 61213015
2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone
CID 105120452
4-bromo-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 146007117
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone (CID 115786328) is 2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone is CCc1ccc(CC(=O)c2cccc(OC(C)C)c2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone?
The InChIKey is FAFJQWTUTVTNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-14-8-9-16(19-12-14)11-18(20)15-6-5-7-17(10-15)21-13(2)3/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone?
2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone has a molecular weight of 283.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 115786328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).