1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C15H22O3 — CID 106681968

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCOc1cc(C)cc(C)c1C(=O)COC(C)(C)C
InChIInChI=1S/C15H22O3/c1-10-7-11(2)14(13(8-10)17-6)12(16)9-18-15(3,4)5/h7-8H,9H2,1-6H3
InChIKeyRAQVEIVWFHSNCK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.31
Rot. Bonds4

About 1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 106681968) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID106681968
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCOc1cc(C)cc(C)c1C(=O)COC(C)(C)C
InChIInChI=1S/C15H22O3/c1-10-7-11(2)14(13(8-10)17-6)12(16)9-18-15(3,4)5/h7-8H,9H2,1-6H3
InChIKeyRAQVEIVWFHSNCK-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252
1-(2-methoxy-4,6-dimethylphenyl)-3-(methylamino)propan-1-one
CID 96672338
3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one
CID 106681729
3-(aminomethyl)-1-(2-methoxy-4,6-dimethylphenyl)pentan-1-one
CID 106681794
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
1-(2-methoxy-4,6-dimethylphenyl)-3-propoxypropan-1-one
CID 106681993
7-amino-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-one
CID 106681678
2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106679903
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 106679998

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 106681968) is 1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone is COc1cc(C)cc(C)c1C(=O)COC(C)(C)C.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is RAQVEIVWFHSNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-7-11(2)14(13(8-10)17-6)12(16)9-18-15(3,4)5/h7-8H,9H2,1-6H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 250.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 106681968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).