1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone

C17H19NO2 — CID 83118898

IUPAC1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C17H19NO2/c1-12(19)15-10-9-13(11-18-15)20-16-8-6-5-7-14(16)17(2,3)4/h5-11H,1-4H3
InChIKeySVAPINVCNLHJQK-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.37
Rot. Bonds3

About 1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone

1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone (PubChem CID 83118898) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone
PubChem CID83118898
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C17H19NO2/c1-12(19)15-10-9-13(11-18-15)20-16-8-6-5-7-14(16)17(2,3)4/h5-11H,1-4H3
InChIKeySVAPINVCNLHJQK-UHFFFAOYSA-N
XLogP4.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone
CID 83119591
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
methyl 4-(2-tert-butylphenoxy)benzoate
CID 91084435
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone
CID 112587862
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
CID 83118767
1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone
CID 83118902
1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone
CID 83118631

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone (CID 83118898) is 1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone is CC(=O)c1ccc(Oc2ccccc2C(C)(C)C)cn1.
What is the InChIKey of 1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone?
The InChIKey is SVAPINVCNLHJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(19)15-10-9-13(11-18-15)20-16-8-6-5-7-14(16)17(2,3)4/h5-11H,1-4H3.
What are the key properties of 1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone?
1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone has a molecular weight of 269.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 83118898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).