methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate

C16H20O3 — CID 114605935

IUPACmethyl 5-(2-cyclobutylphenyl)-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1ccccc1C1CCC1
InChIInChI=1S/C16H20O3/c1-19-16(18)10-9-14(17)11-13-5-2-3-8-15(13)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-11H2,1H3
InChIKeyBCLMSXMXSITZIZ-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.02
Rot. Bonds6

About methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate

methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate (PubChem CID 114605935) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(2-cyclobutylphenyl)-4-oxopentanoate
PubChem CID114605935
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Namemethyl 5-(2-cyclobutylphenyl)-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1ccccc1C1CCC1
InChIInChI=1S/C16H20O3/c1-19-16(18)10-9-14(17)11-13-5-2-3-8-15(13)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-11H2,1H3
InChIKeyBCLMSXMXSITZIZ-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate?
The IUPAC name of methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate (CID 114605935) is methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate.
What is the SMILES notation for methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate?
The canonical SMILES for methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate is COC(=O)CCC(=O)Cc1ccccc1C1CCC1.
What is the InChIKey of methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate?
The InChIKey is BCLMSXMXSITZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-19-16(18)10-9-14(17)11-13-5-2-3-8-15(13)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-11H2,1H3.
What are the key properties of methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate?
methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate has a molecular weight of 260.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate is sourced from PubChem (CID 114605935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).