butan-2-one;1-methyl-4-propan-2-ylbenzene

C14H22O — CID 163264285

IUPACbutan-2-one;1-methyl-4-propan-2-ylbenzene
SMILESCCC(C)=O.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C10H14.C4H8O/c1-8(2)10-6-4-9(3)5-7-10;1-3-4(2)5/h4-8H,1-3H3;3H2,1-2H3
InChIKeyIDWCGVWYKKLTMG-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.10
Rot. Bonds2

About butan-2-one;1-methyl-4-propan-2-ylbenzene

butan-2-one;1-methyl-4-propan-2-ylbenzene (PubChem CID 163264285) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is butan-2-one;1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Namebutan-2-one;1-methyl-4-propan-2-ylbenzene
PubChem CID163264285
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Namebutan-2-one;1-methyl-4-propan-2-ylbenzene
SMILESCCC(C)=O.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C10H14.C4H8O/c1-8(2)10-6-4-9(3)5-7-10;1-3-4(2)5/h4-8H,1-3H3;3H2,1-2H3
InChIKeyIDWCGVWYKKLTMG-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
butan-2-one;propan-2-ol;propan-2-one;toluene
CID 159618290
butan-2-one;methanol;toluene
CID 23136147
2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone
CID 63567372
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294
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CID 11319478

Frequently Asked Questions

What is the IUPAC name of butan-2-one;1-methyl-4-propan-2-ylbenzene?
The IUPAC name of butan-2-one;1-methyl-4-propan-2-ylbenzene (CID 163264285) is butan-2-one;1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for butan-2-one;1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for butan-2-one;1-methyl-4-propan-2-ylbenzene is CCC(C)=O.Cc1ccc(C(C)C)cc1.
What is the InChIKey of butan-2-one;1-methyl-4-propan-2-ylbenzene?
The InChIKey is IDWCGVWYKKLTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C4H8O/c1-8(2)10-6-4-9(3)5-7-10;1-3-4(2)5/h4-8H,1-3H3;3H2,1-2H3.
What are the key properties of butan-2-one;1-methyl-4-propan-2-ylbenzene?
butan-2-one;1-methyl-4-propan-2-ylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 163264285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).