ethyl 4-(4-pentanoylphenoxy)butanoate

C17H24O4 — CID 68805666

IUPACethyl 4-(4-pentanoylphenoxy)butanoate
SMILESCCCCC(=O)c1ccc(OCCCC(=O)OCC)cc1
InChIInChI=1S/C17H24O4/c1-3-5-7-16(18)14-9-11-15(12-10-14)21-13-6-8-17(19)20-4-2/h9-12H,3-8,13H2,1-2H3
InChIKeyUZQLENPRFUNECK-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.78
Rot. Bonds10

About ethyl 4-(4-pentanoylphenoxy)butanoate

ethyl 4-(4-pentanoylphenoxy)butanoate (PubChem CID 68805666) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-(4-pentanoylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-pentanoylphenoxy)butanoate
PubChem CID68805666
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nameethyl 4-(4-pentanoylphenoxy)butanoate
SMILESCCCCC(=O)c1ccc(OCCCC(=O)OCC)cc1
InChIInChI=1S/C17H24O4/c1-3-5-7-16(18)14-9-11-15(12-10-14)21-13-6-8-17(19)20-4-2/h9-12H,3-8,13H2,1-2H3
InChIKeyUZQLENPRFUNECK-UHFFFAOYSA-N
XLogP3.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(4-heptoxyphenyl)-6-oxohexanoate
CID 24727585
ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate
CID 24727563
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
ethyl 3-(4-octadecoxyphenyl)-3-oxopropanoate
CID 21470678
ethyl 11-[4-[2-(dimethylamino)acetyl]phenoxy]undecanoate
CID 170896043
ethyl 4-(4-carbamimidoylphenoxy)butanoate
CID 23371394
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
ethyl 7-(4-methylphenyl)-7-oxoheptanoate
CID 24727327
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
CID 43833904
ethyl 7-oxo-7-(4-propan-2-yloxyphenyl)heptanoate
CID 24727573
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-pentanoylphenoxy)butanoate?
The IUPAC name of ethyl 4-(4-pentanoylphenoxy)butanoate (CID 68805666) is ethyl 4-(4-pentanoylphenoxy)butanoate.
What is the SMILES notation for ethyl 4-(4-pentanoylphenoxy)butanoate?
The canonical SMILES for ethyl 4-(4-pentanoylphenoxy)butanoate is CCCCC(=O)c1ccc(OCCCC(=O)OCC)cc1.
What is the InChIKey of ethyl 4-(4-pentanoylphenoxy)butanoate?
The InChIKey is UZQLENPRFUNECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-5-7-16(18)14-9-11-15(12-10-14)21-13-6-8-17(19)20-4-2/h9-12H,3-8,13H2,1-2H3.
What are the key properties of ethyl 4-(4-pentanoylphenoxy)butanoate?
ethyl 4-(4-pentanoylphenoxy)butanoate has a molecular weight of 292.38 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-pentanoylphenoxy)butanoate is sourced from PubChem (CID 68805666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).