ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate

C17H17FO3 — CID 141200416

IUPACethyl 2-(4-fluoro-3-phenylphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C17H17FO3/c1-3-20-17(19)12(2)21-14-9-10-16(18)15(11-14)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyDZLRMACIYSUYKN-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.82
Rot. Bonds5

About ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate

ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate (PubChem CID 141200416) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-3-phenylphenoxy)propanoate
PubChem CID141200416
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Nameethyl 2-(4-fluoro-3-phenylphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C17H17FO3/c1-3-20-17(19)12(2)21-14-9-10-16(18)15(11-14)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyDZLRMACIYSUYKN-UHFFFAOYSA-N
XLogP3.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 107720057
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl 2-[4-(2-fluorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 138490773
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
(2R)-2-(3-fluoro-4-phenylphenoxy)propanoate
CID 7072246
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl (2R)-2-[5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-2-oxo-4-phenylchromen-7-yl]oxypropanoate
CID 1232628
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
CID 59993707
CID 59993707
ethyl (2S)-2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 1383024

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate?
The IUPAC name of ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate (CID 141200416) is ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate.
What is the SMILES notation for ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate?
The canonical SMILES for ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate is CCOC(=O)C(C)Oc1ccc(F)c(-c2ccccc2)c1.
What is the InChIKey of ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate?
The InChIKey is DZLRMACIYSUYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-3-20-17(19)12(2)21-14-9-10-16(18)15(11-14)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate?
ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate has a molecular weight of 288.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate is sourced from PubChem (CID 141200416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).