ethyl 3-(4-butylphenoxy)propanoate

C15H22O3 — CID 115492144

IUPACethyl 3-(4-butylphenoxy)propanoate
SMILESCCCCc1ccc(OCCC(=O)OCC)cc1
InChIInChI=1S/C15H22O3/c1-3-5-6-13-7-9-14(10-8-13)18-12-11-15(16)17-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyZHERDEKWJMOTMM-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.36
Rot. Bonds8

About ethyl 3-(4-butylphenoxy)propanoate

ethyl 3-(4-butylphenoxy)propanoate (PubChem CID 115492144) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 3-(4-butylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-butylphenoxy)propanoate
PubChem CID115492144
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 3-(4-butylphenoxy)propanoate
SMILESCCCCc1ccc(OCCC(=O)OCC)cc1
InChIInChI=1S/C15H22O3/c1-3-5-6-13-7-9-14(10-8-13)18-12-11-15(16)17-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyZHERDEKWJMOTMM-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
tert-butyl 3-(4-butylphenoxy)propanoate
CID 116659256
ethyl 3-[4-(5-aminopentoxy)phenyl]propanoate
CID 162639923
ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
CID 162639918
6-(4-butylphenoxy)hexan-2-one
CID 115492852
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
3-(4-butylphenoxy)-1-phenylpropan-1-one
CID 116692186
ethyl 4-[4-(2-amino-2-oxoethyl)phenoxy]butanoate
CID 156541530
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 5-(4-prop-2-enoxyphenyl)pentanoate
CID 159399801
9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide
CID 14555680

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-butylphenoxy)propanoate?
The IUPAC name of ethyl 3-(4-butylphenoxy)propanoate (CID 115492144) is ethyl 3-(4-butylphenoxy)propanoate.
What is the SMILES notation for ethyl 3-(4-butylphenoxy)propanoate?
The canonical SMILES for ethyl 3-(4-butylphenoxy)propanoate is CCCCc1ccc(OCCC(=O)OCC)cc1.
What is the InChIKey of ethyl 3-(4-butylphenoxy)propanoate?
The InChIKey is ZHERDEKWJMOTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-5-6-13-7-9-14(10-8-13)18-12-11-15(16)17-4-2/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of ethyl 3-(4-butylphenoxy)propanoate?
ethyl 3-(4-butylphenoxy)propanoate has a molecular weight of 250.34 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-butylphenoxy)propanoate is sourced from PubChem (CID 115492144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).