1-(4-cyclobutylphenyl)-2-methoxybutan-1-one

C15H20O2 — CID 116707134

IUPAC1-(4-cyclobutylphenyl)-2-methoxybutan-1-one
SMILESCCC(OC)C(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H20O2/c1-3-14(17-2)15(16)13-9-7-12(8-10-13)11-5-4-6-11/h7-11,14H,3-6H2,1-2H3
InChIKeyGXJMCOBYXJRCJL-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-cyclobutylphenyl)-2-methoxybutan-1-one

1-(4-cyclobutylphenyl)-2-methoxybutan-1-one (PubChem CID 116707134) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-methoxybutan-1-one.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-methoxybutan-1-one
PubChem CID116707134
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(4-cyclobutylphenyl)-2-methoxybutan-1-one
SMILESCCC(OC)C(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H20O2/c1-3-14(17-2)15(16)13-9-7-12(8-10-13)11-5-4-6-11/h7-11,14H,3-6H2,1-2H3
InChIKeyGXJMCOBYXJRCJL-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-methoxybutan-1-one?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-methoxybutan-1-one (CID 116707134) is 1-(4-cyclobutylphenyl)-2-methoxybutan-1-one.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-methoxybutan-1-one?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-methoxybutan-1-one is CCC(OC)C(=O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-methoxybutan-1-one?
The InChIKey is GXJMCOBYXJRCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-14(17-2)15(16)13-9-7-12(8-10-13)11-5-4-6-11/h7-11,14H,3-6H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-methoxybutan-1-one?
1-(4-cyclobutylphenyl)-2-methoxybutan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-methoxybutan-1-one is sourced from PubChem (CID 116707134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).