ethyl 2-(4-propylphenoxy)butanoate

C15H22O3 — CID 64662863

IUPACethyl 2-(4-propylphenoxy)butanoate
SMILESCCCc1ccc(OC(CC)C(=O)OCC)cc1
InChIInChI=1S/C15H22O3/c1-4-7-12-8-10-13(11-9-12)18-14(5-2)15(16)17-6-3/h8-11,14H,4-7H2,1-3H3
InChIKeyXKEPJTZMKJSZGS-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.36
Rot. Bonds7

About ethyl 2-(4-propylphenoxy)butanoate

ethyl 2-(4-propylphenoxy)butanoate (PubChem CID 64662863) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-(4-propylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(4-propylphenoxy)butanoate
PubChem CID64662863
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 2-(4-propylphenoxy)butanoate
SMILESCCCc1ccc(OC(CC)C(=O)OCC)cc1
InChIInChI=1S/C15H22O3/c1-4-7-12-8-10-13(11-9-12)18-14(5-2)15(16)17-6-3/h8-11,14H,4-7H2,1-3H3
InChIKeyXKEPJTZMKJSZGS-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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 2-(4-methylphenoxy)butanoate
CID 64662052
2-(4-propylphenoxy)butanehydrazide
CID 63570904
ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate
CID 64668116
ethyl (2S)-2-(4-nitrophenoxy)butanoate
CID 95358569
ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate
CID 67588790
ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate
CID 70623178
ethyl 2-[4-(2-acetamidoethyl)phenoxy]hexanoate
CID 23471007
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate
CID 83035105
ethyl (2S)-2-(4-bromophenoxy)-4-phenylbutanoate
CID 67031076
(2R)-2-(4-propylphenoxy)propanoyl chloride
CID 86712374

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-propylphenoxy)butanoate?
The IUPAC name of ethyl 2-(4-propylphenoxy)butanoate (CID 64662863) is ethyl 2-(4-propylphenoxy)butanoate.
What is the SMILES notation for ethyl 2-(4-propylphenoxy)butanoate?
The canonical SMILES for ethyl 2-(4-propylphenoxy)butanoate is CCCc1ccc(OC(CC)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-(4-propylphenoxy)butanoate?
The InChIKey is XKEPJTZMKJSZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-7-12-8-10-13(11-9-12)18-14(5-2)15(16)17-6-3/h8-11,14H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(4-propylphenoxy)butanoate?
ethyl 2-(4-propylphenoxy)butanoate has a molecular weight of 250.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-propylphenoxy)butanoate is sourced from PubChem (CID 64662863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).