2-butan-2-yloxy-1-(4-chlorophenyl)ethanone

C12H15ClO2 — CID 60902738

IUPAC2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
SMILESCCC(C)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-3-9(2)15-8-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyHLKJLQQDZJXAIZ-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.34
Rot. Bonds5

About 2-butan-2-yloxy-1-(4-chlorophenyl)ethanone

2-butan-2-yloxy-1-(4-chlorophenyl)ethanone (PubChem CID 60902738) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-butan-2-yloxy-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
PubChem CID60902738
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
SMILESCCC(C)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-3-9(2)15-8-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyHLKJLQQDZJXAIZ-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
2-butan-2-yloxy-1-(4-ethylphenyl)ethanone
CID 60904693
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
1-(4-chlorophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
CID 102722486
[(2R)-1-(4-chlorophenyl)-1-oxobutan-2-yl]azanium
CID 7393173
1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448325
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone
CID 43800065
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426
1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
CID 103489341
[2-(4-chlorophenyl)-2-oxoethyl] methanesulfonate
CID 71560088
2-butan-2-ylsulfinyl-1-(4-chlorophenyl)ethanone
CID 64638854

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-butan-2-yloxy-1-(4-chlorophenyl)ethanone (CID 60902738) is 2-butan-2-yloxy-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-butan-2-yloxy-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-butan-2-yloxy-1-(4-chlorophenyl)ethanone is CCC(C)OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-butan-2-yloxy-1-(4-chlorophenyl)ethanone?
The InChIKey is HLKJLQQDZJXAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-3-9(2)15-8-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-1-(4-chlorophenyl)ethanone?
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone has a molecular weight of 226.70 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 60902738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).