methyl 4-oxo-5-(4-propylphenyl)pentanoate

C15H20O3 — CID 63900279

IUPACmethyl 4-oxo-5-(4-propylphenyl)pentanoate
SMILESCCCc1ccc(CC(=O)CCC(=O)OC)cc1
InChIInChI=1S/C15H20O3/c1-3-4-12-5-7-13(8-6-12)11-14(16)9-10-15(17)18-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyZYTAUZMMQHSNIR-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.70
Rot. Bonds7

About methyl 4-oxo-5-(4-propylphenyl)pentanoate

methyl 4-oxo-5-(4-propylphenyl)pentanoate (PubChem CID 63900279) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 4-oxo-5-(4-propylphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-oxo-5-(4-propylphenyl)pentanoate
PubChem CID63900279
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 4-oxo-5-(4-propylphenyl)pentanoate
SMILESCCCc1ccc(CC(=O)CCC(=O)OC)cc1
InChIInChI=1S/C15H20O3/c1-3-4-12-5-7-13(8-6-12)11-14(16)9-10-15(17)18-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyZYTAUZMMQHSNIR-UHFFFAOYSA-N
XLogP2.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
CID 159099314
methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481
methyl 5-(4-cyclobutylphenyl)-4-oxopentanoate
CID 116506694
methyl 2-(4-butylphenyl)acetate
CID 10442975
methyl 2-(4-propylphenoxy)acetate
CID 19911850
1-(4-propylphenyl)propan-2-one
CID 82490574
methyl 3-[4-[4-[2-[4-[4-(3-methoxy-3-oxopropyl)-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]ethyl]-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate
CID 71277676
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-5-(4-propylphenyl)pentanoate?
The IUPAC name of methyl 4-oxo-5-(4-propylphenyl)pentanoate (CID 63900279) is methyl 4-oxo-5-(4-propylphenyl)pentanoate.
What is the SMILES notation for methyl 4-oxo-5-(4-propylphenyl)pentanoate?
The canonical SMILES for methyl 4-oxo-5-(4-propylphenyl)pentanoate is CCCc1ccc(CC(=O)CCC(=O)OC)cc1.
What is the InChIKey of methyl 4-oxo-5-(4-propylphenyl)pentanoate?
The InChIKey is ZYTAUZMMQHSNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-4-12-5-7-13(8-6-12)11-14(16)9-10-15(17)18-2/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of methyl 4-oxo-5-(4-propylphenyl)pentanoate?
methyl 4-oxo-5-(4-propylphenyl)pentanoate has a molecular weight of 248.32 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-5-(4-propylphenyl)pentanoate is sourced from PubChem (CID 63900279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).