ethyl 2-(4-phenylphenoxy)propanoate

C17H18O3 — CID 10956576

IUPACethyl 2-(4-phenylphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-3-19-17(18)13(2)20-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
InChIKeyJVGMRMRSDREMMP-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.68
Rot. Bonds5

About ethyl 2-(4-phenylphenoxy)propanoate

ethyl 2-(4-phenylphenoxy)propanoate (PubChem CID 10956576) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-(4-phenylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-phenylphenoxy)propanoate
PubChem CID10956576
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nameethyl 2-(4-phenylphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-3-19-17(18)13(2)20-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
InChIKeyJVGMRMRSDREMMP-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate
CID 141200416
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate
CID 44635825
CID 59993707
CID 59993707
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
ethyl 2-[(4-phenylphenyl)methoxy]propanoate
CID 58354424
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
ethyl 2-[[3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl]oxy]propanoate
CID 3994261
ethyl (2S)-2-[[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl]oxy]propanoate
CID 40654821

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenylphenoxy)propanoate?
The IUPAC name of ethyl 2-(4-phenylphenoxy)propanoate (CID 10956576) is ethyl 2-(4-phenylphenoxy)propanoate.
What is the SMILES notation for ethyl 2-(4-phenylphenoxy)propanoate?
The canonical SMILES for ethyl 2-(4-phenylphenoxy)propanoate is CCOC(=O)C(C)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2-(4-phenylphenoxy)propanoate?
The InChIKey is JVGMRMRSDREMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-19-17(18)13(2)20-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-phenylphenoxy)propanoate?
ethyl 2-(4-phenylphenoxy)propanoate has a molecular weight of 270.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenylphenoxy)propanoate is sourced from PubChem (CID 10956576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).