1-(4-butylphenoxy)-3-methylbutan-2-one

C15H22O2 — CID 115492859

IUPAC1-(4-butylphenoxy)-3-methylbutan-2-one
SMILESCCCCc1ccc(OCC(=O)C(C)C)cc1
InChIInChI=1S/C15H22O2/c1-4-5-6-13-7-9-14(10-8-13)17-11-15(16)12(2)3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyHDKGJHJMJYJQTB-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.63
Rot. Bonds7

About 1-(4-butylphenoxy)-3-methylbutan-2-one

1-(4-butylphenoxy)-3-methylbutan-2-one (PubChem CID 115492859) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-butylphenoxy)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(4-butylphenoxy)-3-methylbutan-2-one
PubChem CID115492859
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(4-butylphenoxy)-3-methylbutan-2-one
SMILESCCCCc1ccc(OCC(=O)C(C)C)cc1
InChIInChI=1S/C15H22O2/c1-4-5-6-13-7-9-14(10-8-13)17-11-15(16)12(2)3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyHDKGJHJMJYJQTB-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenoxy)-3-(4-methylphenoxy)butan-2-one
CID 20820595
2-methyl-6-(4-pentoxyphenyl)hexan-3-one
CID 83932581
2-(4-octylphenoxy)acetic acid
CID 27145
2-(4-butylphenoxy)-1-cyclopropylethanone
CID 115492850
2-(4-hexylphenoxy)acetyl chloride
CID 86712364
2-(4-nonylphenoxy)acetamide
CID 54388059
2-(4-butylphenoxy)-1-cyclopentylethanone
CID 104752178
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
3-(4-butylphenoxy)butan-2-ol
CID 115492969
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
6-(4-butylphenoxy)hexan-2-one
CID 115492852

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenoxy)-3-methylbutan-2-one?
The IUPAC name of 1-(4-butylphenoxy)-3-methylbutan-2-one (CID 115492859) is 1-(4-butylphenoxy)-3-methylbutan-2-one.
What is the SMILES notation for 1-(4-butylphenoxy)-3-methylbutan-2-one?
The canonical SMILES for 1-(4-butylphenoxy)-3-methylbutan-2-one is CCCCc1ccc(OCC(=O)C(C)C)cc1.
What is the InChIKey of 1-(4-butylphenoxy)-3-methylbutan-2-one?
The InChIKey is HDKGJHJMJYJQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-5-6-13-7-9-14(10-8-13)17-11-15(16)12(2)3/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 1-(4-butylphenoxy)-3-methylbutan-2-one?
1-(4-butylphenoxy)-3-methylbutan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenoxy)-3-methylbutan-2-one is sourced from PubChem (CID 115492859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).