2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone

C15H18N2O2 — CID 969139

IUPAC2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)COc2c(C)cccc2C)n1
InChIInChI=1S/C15H18N2O2/c1-10-6-5-7-11(2)15(10)19-9-14(18)17-13(4)8-12(3)16-17/h5-8H,9H2,1-4H3
InChIKeyCOJVEGVSTVNEDD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.84
Rot. Bonds3

About 2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone

2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 969139) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID969139
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)COc2c(C)cccc2C)n1
InChIInChI=1S/C15H18N2O2/c1-10-6-5-7-11(2)15(10)19-9-14(18)17-13(4)8-12(3)16-17/h5-8H,9H2,1-4H3
InChIKeyCOJVEGVSTVNEDD-UHFFFAOYSA-N
XLogP2.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone (CID 969139) is 2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(C(=O)COc2c(C)cccc2C)n1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is COJVEGVSTVNEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-6-5-7-11(2)15(10)19-9-14(18)17-13(4)8-12(3)16-17/h5-8H,9H2,1-4H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 969139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).