tert-butyl 3-(4-butylphenoxy)propanoate

C17H26O3 — CID 116659256

IUPACtert-butyl 3-(4-butylphenoxy)propanoate
SMILESCCCCc1ccc(OCCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H26O3/c1-5-6-7-14-8-10-15(11-9-14)19-13-12-16(18)20-17(2,3)4/h8-11H,5-7,12-13H2,1-4H3
InChIKeyJKZZPIORWOSVGJ-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.14
Rot. Bonds7

About tert-butyl 3-(4-butylphenoxy)propanoate

tert-butyl 3-(4-butylphenoxy)propanoate (PubChem CID 116659256) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is tert-butyl 3-(4-butylphenoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(4-butylphenoxy)propanoate
PubChem CID116659256
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Nametert-butyl 3-(4-butylphenoxy)propanoate
SMILESCCCCc1ccc(OCCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H26O3/c1-5-6-7-14-8-10-15(11-9-14)19-13-12-16(18)20-17(2,3)4/h8-11H,5-7,12-13H2,1-4H3
InChIKeyJKZZPIORWOSVGJ-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627
tert-butyl 3-[4-(3-oxobutyl)phenoxy]propanoate
CID 116659062
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
tert-butyl 5-(4-butoxyphenoxy)-4-oxopentanoate
CID 58498087
tert-butyl 4-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoate
CID 160926116
6-(4-butylphenoxy)hexan-2-one
CID 115492852
tert-butyl (4-butylphenyl) carbonate
CID 22625486
3-(4-butylphenoxy)-1-phenylpropan-1-one
CID 116692186
4,4-dimethyl-1-(4-pentoxyphenyl)pentan-3-one
CID 82184881
tert-butyl 2-[(4-butylphenyl)methylamino]acetate
CID 68600111
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
2-amino-6-(4-butylphenoxy)-2-methylhexanamide
CID 115493137

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-butylphenoxy)propanoate?
The IUPAC name of tert-butyl 3-(4-butylphenoxy)propanoate (CID 116659256) is tert-butyl 3-(4-butylphenoxy)propanoate.
What is the SMILES notation for tert-butyl 3-(4-butylphenoxy)propanoate?
The canonical SMILES for tert-butyl 3-(4-butylphenoxy)propanoate is CCCCc1ccc(OCCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 3-(4-butylphenoxy)propanoate?
The InChIKey is JKZZPIORWOSVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-6-7-14-8-10-15(11-9-14)19-13-12-16(18)20-17(2,3)4/h8-11H,5-7,12-13H2,1-4H3.
What are the key properties of tert-butyl 3-(4-butylphenoxy)propanoate?
tert-butyl 3-(4-butylphenoxy)propanoate has a molecular weight of 278.39 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-butylphenoxy)propanoate is sourced from PubChem (CID 116659256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).