ethyl 4-(4-tert-butylphenyl)butanoate

C16H24O2 — CID 15365030

IUPACethyl 4-(4-tert-butylphenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24O2/c1-5-18-15(17)8-6-7-13-9-11-14(12-10-13)16(2,3)4/h9-12H,5-8H2,1-4H3
InChIKeyIELTXVBKZJKOJE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.87
Rot. Bonds5

About ethyl 4-(4-tert-butylphenyl)butanoate

ethyl 4-(4-tert-butylphenyl)butanoate (PubChem CID 15365030) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is ethyl 4-(4-tert-butylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-tert-butylphenyl)butanoate
PubChem CID15365030
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Nameethyl 4-(4-tert-butylphenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24O2/c1-5-18-15(17)8-6-7-13-9-11-14(12-10-13)16(2,3)4/h9-12H,5-8H2,1-4H3
InChIKeyIELTXVBKZJKOJE-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-tert-butylphenyl)butanoate?
The IUPAC name of ethyl 4-(4-tert-butylphenyl)butanoate (CID 15365030) is ethyl 4-(4-tert-butylphenyl)butanoate.
What is the SMILES notation for ethyl 4-(4-tert-butylphenyl)butanoate?
The canonical SMILES for ethyl 4-(4-tert-butylphenyl)butanoate is CCOC(=O)CCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl 4-(4-tert-butylphenyl)butanoate?
The InChIKey is IELTXVBKZJKOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-18-15(17)8-6-7-13-9-11-14(12-10-13)16(2,3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of ethyl 4-(4-tert-butylphenyl)butanoate?
ethyl 4-(4-tert-butylphenyl)butanoate has a molecular weight of 248.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-tert-butylphenyl)butanoate is sourced from PubChem (CID 15365030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).