2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid

C14H18O6 — CID 90478258

IUPAC2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
SMILESCCOC(=O)C(C)Oc1ccc(OC(C)C(=O)O)cc1
InChIInChI=1S/C14H18O6/c1-4-18-14(17)10(3)20-12-7-5-11(6-8-12)19-9(2)13(15)16/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyLEEYMVDWYFLUKP-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.87
Rot. Bonds7

About 2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid

2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid (PubChem CID 90478258) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
PubChem CID90478258
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
SMILESCCOC(=O)C(C)Oc1ccc(OC(C)C(=O)O)cc1
InChIInChI=1S/C14H18O6/c1-4-18-14(17)10(3)20-12-7-5-11(6-8-12)19-9(2)13(15)16/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyLEEYMVDWYFLUKP-UHFFFAOYSA-N
XLogP1.87
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
CID 59993707
CID 59993707
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid?
The IUPAC name of 2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid (CID 90478258) is 2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for 2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid is CCOC(=O)C(C)Oc1ccc(OC(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid?
The InChIKey is LEEYMVDWYFLUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-4-18-14(17)10(3)20-12-7-5-11(6-8-12)19-9(2)13(15)16/h5-10H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid?
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid has a molecular weight of 282.29 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 90478258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).