ethyl 4-(4-acetylphenyl)butanoate

C14H18O3 — CID 14938331

IUPACethyl 4-(4-acetylphenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H18O3/c1-3-17-14(16)6-4-5-12-7-9-13(10-8-12)11(2)15/h7-10H,3-6H2,1-2H3
InChIKeyAIWVXEZVUBWIOG-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.78
Rot. Bonds6

About ethyl 4-(4-acetylphenyl)butanoate

ethyl 4-(4-acetylphenyl)butanoate (PubChem CID 14938331) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 4-(4-acetylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-acetylphenyl)butanoate
PubChem CID14938331
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl 4-(4-acetylphenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H18O3/c1-3-17-14(16)6-4-5-12-7-9-13(10-8-12)11(2)15/h7-10H,3-6H2,1-2H3
InChIKeyAIWVXEZVUBWIOG-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetylphenyl)butanoate?
The IUPAC name of ethyl 4-(4-acetylphenyl)butanoate (CID 14938331) is ethyl 4-(4-acetylphenyl)butanoate.
What is the SMILES notation for ethyl 4-(4-acetylphenyl)butanoate?
The canonical SMILES for ethyl 4-(4-acetylphenyl)butanoate is CCOC(=O)CCCc1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 4-(4-acetylphenyl)butanoate?
The InChIKey is AIWVXEZVUBWIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-17-14(16)6-4-5-12-7-9-13(10-8-12)11(2)15/h7-10H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(4-acetylphenyl)butanoate?
ethyl 4-(4-acetylphenyl)butanoate has a molecular weight of 234.29 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetylphenyl)butanoate is sourced from PubChem (CID 14938331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).