1-(4-butylphenyl)-3-methylbutan-1-one

C15H22O — CID 43160107

IUPAC1-(4-butylphenyl)-3-methylbutan-1-one
SMILESCCCCc1ccc(C(=O)CC(C)C)cc1
InChIInChI=1S/C15H22O/c1-4-5-6-13-7-9-14(10-8-13)15(16)11-12(2)3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyCWLYDKAYPGYAEV-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.26
Rot. Bonds6

About 1-(4-butylphenyl)-3-methylbutan-1-one

1-(4-butylphenyl)-3-methylbutan-1-one (PubChem CID 43160107) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-methylbutan-1-one
PubChem CID43160107
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(4-butylphenyl)-3-methylbutan-1-one
SMILESCCCCc1ccc(C(=O)CC(C)C)cc1
InChIInChI=1S/C15H22O/c1-4-5-6-13-7-9-14(10-8-13)15(16)11-12(2)3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyCWLYDKAYPGYAEV-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-butylphenyl)-3-methyl-5-oxopentanoic acid
CID 2757308
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
3-[4-(3-methylbutanoyl)phenyl]propanoic acid
CID 94686145
1-(4-butylphenyl)-2-sulfanylethanone
CID 94681416
5-(4-hexadecylphenyl)-3-methyl-5-oxopentanoic acid
CID 10741308
1-(4-hexylsulfonylphenyl)-3-methylbutan-1-one
CID 94780157
4-(4-butylphenyl)-4-oxobutanamide
CID 47319697
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
CID 134887749
7-(4-butylphenyl)-7-oxoheptanoic acid
CID 24727167

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-butylphenyl)-3-methylbutan-1-one (CID 43160107) is 1-(4-butylphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-butylphenyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-butylphenyl)-3-methylbutan-1-one is CCCCc1ccc(C(=O)CC(C)C)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-methylbutan-1-one?
The InChIKey is CWLYDKAYPGYAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-4-5-6-13-7-9-14(10-8-13)15(16)11-12(2)3/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-3-methylbutan-1-one?
1-(4-butylphenyl)-3-methylbutan-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 43160107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).