3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one

C16H24O2 — CID 60623601

IUPAC3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
SMILESCc1ccc(C(C)C)cc1OCC(=O)C(C)(C)C
InChIInChI=1S/C16H24O2/c1-11(2)13-8-7-12(3)14(9-13)18-10-15(17)16(4,5)6/h7-9,11H,10H2,1-6H3
InChIKeyAIKLEMCWLLSBJP-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.11
Rot. Bonds4

About 3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one

3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one (PubChem CID 60623601) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
PubChem CID60623601
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
SMILESCc1ccc(C(C)C)cc1OCC(=O)C(C)(C)C
InChIInChI=1S/C16H24O2/c1-11(2)13-8-7-12(3)14(9-13)18-10-15(17)16(4,5)6/h7-9,11H,10H2,1-6H3
InChIKeyAIKLEMCWLLSBJP-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
2,2-bis[(2-methyl-5-propan-2-ylphenoxy)methyl]propane-1,3-diol
CID 24843314
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-(2-methyl-5-propan-2-ylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 60623581
1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 60623516
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836
1-(5-ethylthiophen-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567064
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
CID 165362768
2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 55351010
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one (CID 60623601) is 3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one is Cc1ccc(C(C)C)cc1OCC(=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one?
The InChIKey is AIKLEMCWLLSBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11(2)13-8-7-12(3)14(9-13)18-10-15(17)16(4,5)6/h7-9,11H,10H2,1-6H3.
What are the key properties of 3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one?
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one has a molecular weight of 248.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one is sourced from PubChem (CID 60623601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).