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

C16H24O2 — CID 43799075

IUPAC1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone
SMILESCc1ccc(C(=O)COC(C)CC(C)C)cc1C
InChIInChI=1S/C16H24O2/c1-11(2)8-14(5)18-10-16(17)15-7-6-12(3)13(4)9-15/h6-7,9,11,14H,8,10H2,1-5H3
InChIKeyDURKWSSJYKZDIS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.94
Rot. Bonds6

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

1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone (PubChem CID 43799075) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone
PubChem CID43799075
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone
SMILESCc1ccc(C(=O)COC(C)CC(C)C)cc1C
InChIInChI=1S/C16H24O2/c1-11(2)8-14(5)18-10-16(17)15-7-6-12(3)13(4)9-15/h6-7,9,11,14H,8,10H2,1-5H3
InChIKeyDURKWSSJYKZDIS-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone
CID 43799096
1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412803
1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800582
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
CID 135086680
N-(3-amino-4-methylphenyl)-2-(4-methylpentan-2-yloxy)acetamide
CID 43376679
1-(3,4-dimethylphenyl)but-3-yn-1-one
CID 114962056
[2-(3,4-dimethylphenyl)-2-oxoethyl] cyclobutanecarboxylate
CID 2418966
1-(4-bromo-3,5-dimethylphenyl)-2-propan-2-yloxyethanone
CID 114329778

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone (CID 43799075) is 1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone is Cc1ccc(C(=O)COC(C)CC(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone?
The InChIKey is DURKWSSJYKZDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11(2)8-14(5)18-10-16(17)15-7-6-12(3)13(4)9-15/h6-7,9,11,14H,8,10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone?
1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone has a molecular weight of 248.37 g/mol, XLogP of 3.94, 6 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-(4-methylpentan-2-yloxy)ethanone is sourced from PubChem (CID 43799075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).