1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one

C18H28O — CID 164924416

IUPAC1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one
SMILESCCCCc1cc(C(=O)C(C)C)c(CC)cc1CC
InChIInChI=1S/C18H28O/c1-6-9-10-16-12-17(18(19)13(4)5)15(8-3)11-14(16)7-2/h11-13H,6-10H2,1-5H3
InChIKeyXXZUFLJCOUGCJG-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.99
Rot. Bonds7

About 1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one

1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one (PubChem CID 164924416) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one
PubChem CID164924416
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one
SMILESCCCCc1cc(C(=O)C(C)C)c(CC)cc1CC
InChIInChI=1S/C18H28O/c1-6-9-10-16-12-17(18(19)13(4)5)15(8-3)11-14(16)7-2/h11-13H,6-10H2,1-5H3
InChIKeyXXZUFLJCOUGCJG-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dibutylphthalic acid
CID 57316661
lithium;hydride;2,4,5-tributylbenzoic acid
CID 173424701
1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one
CID 168997581
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590
5-butyl-2-hydroxy-4-(hydroxymethyl)benzoic acid
CID 54378254
1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
4-butyl-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide
CID 18937147
3-butyl-2,5-dihydroxypyrrole-1-carboperoxoic acid
CID 57025715
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
2,3,8,9-tetrabutyltetracene
CID 102053257
methyl 2-ethyl-5-methylsulfonyl-4-pentylbenzoate
CID 18937189
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219

Frequently Asked Questions

What is the IUPAC name of 1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one (CID 164924416) is 1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one is CCCCc1cc(C(=O)C(C)C)c(CC)cc1CC.
What is the InChIKey of 1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one?
The InChIKey is XXZUFLJCOUGCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-6-9-10-16-12-17(18(19)13(4)5)15(8-3)11-14(16)7-2/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one?
1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one has a molecular weight of 260.42 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 164924416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).