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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Related Compounds

CID 658913
CID 658913
CID 730205
CID 730205
CID 661649
CID 661649
CID 3133158
CID 3133158
CID 6457385
CID 6457385
CID 7998841
CID 7998841
CID 1090340
CID 1090340
CID 46933629
CID 46933629
CID 46933630
CID 46933630
CID 46933631
CID 46933631
CID 755798
CID 755798
CID 730003
CID 730003

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).