2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one

C15H22O3 — CID 103433056

IUPAC2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
SMILESCCC(C)(OC)C(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H22O3/c1-7-15(4,18-6)14(16)12-9-8-10(2)11(3)13(12)17-5/h8-9H,7H2,1-6H3
InChIKeyIPXIQCKNPOAZGG-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.31
Rot. Bonds5

About 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one

2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one (PubChem CID 103433056) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
PubChem CID103433056
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
SMILESCCC(C)(OC)C(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H22O3/c1-7-15(4,18-6)14(16)12-9-8-10(2)11(3)13(12)17-5/h8-9H,7H2,1-6H3
InChIKeyIPXIQCKNPOAZGG-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 103432971
1-(3-bromo-2,4-dimethoxyphenyl)-2-methoxy-2-methylbutan-1-one
CID 103523137
2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one
CID 102831119
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-one
CID 116746687
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068
1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
CID 103432888
2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103433037
1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-one
CID 103523138
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one
CID 116746583
2-methoxy-2-methyl-1-phenylbutan-1-one
CID 10261995
ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate
CID 103434200

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
The IUPAC name of 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one (CID 103433056) is 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one is CCC(C)(OC)C(=O)c1ccc(C)c(C)c1OC.
What is the InChIKey of 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
The InChIKey is IPXIQCKNPOAZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-7-15(4,18-6)14(16)12-9-8-10(2)11(3)13(12)17-5/h8-9H,7H2,1-6H3.
What are the key properties of 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 103433056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).