ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate

C17H16F2O3 — CID 21412650

IUPACethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(-c2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C17H16F2O3/c1-3-22-17(21)10(2)11-4-6-14(16(20)8-11)13-7-5-12(18)9-15(13)19/h4-10,20H,3H2,1-2H3
InChIKeyWIPWFICIUVJIKN-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.00
Rot. Bonds4

About ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate

ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate (PubChem CID 21412650) has the molecular formula C17H16F2O3 and a molecular weight of 306.31 g/mol. Its IUPAC name is ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate
PubChem CID21412650
Molecular FormulaC17H16F2O3
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Nameethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(-c2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C17H16F2O3/c1-3-22-17(21)10(2)11-4-6-14(16(20)8-11)13-7-5-12(18)9-15(13)19/h4-10,20H,3H2,1-2H3
InChIKeyWIPWFICIUVJIKN-UHFFFAOYSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate?
The IUPAC name of ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate (CID 21412650) is ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate.
What is the SMILES notation for ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate?
The canonical SMILES for ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate is CCOC(=O)C(C)c1ccc(-c2ccc(F)cc2F)c(O)c1.
What is the InChIKey of ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate?
The InChIKey is WIPWFICIUVJIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3/c1-3-22-17(21)10(2)11-4-6-14(16(20)8-11)13-7-5-12(18)9-15(13)19/h4-10,20H,3H2,1-2H3.
What are the key properties of ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate?
ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate has a molecular weight of 306.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanoate is sourced from PubChem (CID 21412650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).