ethyl 2-acetyl-5-phenylpentanoate

C15H20O3 — CID 14921745

IUPACethyl 2-acetyl-5-phenylpentanoate
SMILESCCOC(=O)C(CCCc1ccccc1)C(C)=O
InChIInChI=1S/C15H20O3/c1-3-18-15(17)14(12(2)16)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyOUQAJQFZOJJUPW-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.78
Rot. Bonds7

About ethyl 2-acetyl-5-phenylpentanoate

ethyl 2-acetyl-5-phenylpentanoate (PubChem CID 14921745) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-acetyl-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 2-acetyl-5-phenylpentanoate
PubChem CID14921745
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 2-acetyl-5-phenylpentanoate
SMILESCCOC(=O)C(CCCc1ccccc1)C(C)=O
InChIInChI=1S/C15H20O3/c1-3-18-15(17)14(12(2)16)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyOUQAJQFZOJJUPW-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
ethyl 2-benzoyl-5-phenylpentanoate
CID 57081921
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
ethyl 5-phenyl-2-(2,2,2-trifluoroacetyl)pentanoate
CID 14435905
pentyl 3-oxo-2-(2-phenylethyl)butanoate
CID 18370478
2-phenylethyl 3-oxo-2-(2-phenylethyl)butanoate
CID 18370832
diethyl 2-[3-(4-chlorophenyl)propyl]propanedioate
CID 54537439
ethyl 2-cyano-5-phenylpentanoate
CID 14921743
5-(3-chlorophenyl)-2-ethoxycarbonylpentanoic acid
CID 54177439
diethyl 2-[(E)-2-methyl-6-phenylhex-2-enyl]propanedioate
CID 15054081
ethyl 3-oxo-4-phenyl-2-(2-phenylethyl)butanoate
CID 139793390
ethane;ethyl 2-acetylhexanoate
CID 90770730

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyl-5-phenylpentanoate?
The IUPAC name of ethyl 2-acetyl-5-phenylpentanoate (CID 14921745) is ethyl 2-acetyl-5-phenylpentanoate.
What is the SMILES notation for ethyl 2-acetyl-5-phenylpentanoate?
The canonical SMILES for ethyl 2-acetyl-5-phenylpentanoate is CCOC(=O)C(CCCc1ccccc1)C(C)=O.
What is the InChIKey of ethyl 2-acetyl-5-phenylpentanoate?
The InChIKey is OUQAJQFZOJJUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-18-15(17)14(12(2)16)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3.
What are the key properties of ethyl 2-acetyl-5-phenylpentanoate?
ethyl 2-acetyl-5-phenylpentanoate has a molecular weight of 248.32 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyl-5-phenylpentanoate is sourced from PubChem (CID 14921745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).