1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone

C15H22O2 — CID 43800582

IUPAC1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone
SMILESCCC(C)(C)OCC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H22O2/c1-6-15(4,5)17-10-14(16)13-8-7-11(2)12(3)9-13/h7-9H,6,10H2,1-5H3
InChIKeyCUBXOGNKKWYNMK-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.69
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone

1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone (PubChem CID 43800582) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone
PubChem CID43800582
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone
SMILESCCC(C)(C)OCC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H22O2/c1-6-15(4,5)17-10-14(16)13-8-7-11(2)12(3)9-13/h7-9H,6,10H2,1-5H3
InChIKeyCUBXOGNKKWYNMK-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone
CID 43800573
1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 107129938
1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
CID 135086680
2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one
CID 116592692
1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone
CID 82101251
1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone
CID 43799075
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one
CID 103446937
1-(3,4-dimethylphenyl)-3-ethoxypropan-1-one
CID 105093547
2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone
CID 62030602
[2-(3,4-dimethylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1218644

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone (CID 43800582) is 1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone is CCC(C)(C)OCC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone?
The InChIKey is CUBXOGNKKWYNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-15(4,5)17-10-14(16)13-8-7-11(2)12(3)9-13/h7-9H,6,10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone?
1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone has a molecular weight of 234.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone is sourced from PubChem (CID 43800582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).