2-oxoethyl 2-(4-hydroxyphenoxy)propanoate

C11H12O5 — CID 88738844

IUPAC2-oxoethyl 2-(4-hydroxyphenoxy)propanoate
SMILESCC(Oc1ccc(O)cc1)C(=O)OCC=O
InChIInChI=1S/C11H12O5/c1-8(11(14)15-7-6-12)16-10-4-2-9(13)3-5-10/h2-6,8,13H,7H2,1H3
InChIKeyYQACVVPHJCTKSJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP0.90
Rot. Bonds5

About 2-oxoethyl 2-(4-hydroxyphenoxy)propanoate

2-oxoethyl 2-(4-hydroxyphenoxy)propanoate (PubChem CID 88738844) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-oxoethyl 2-(4-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Name2-oxoethyl 2-(4-hydroxyphenoxy)propanoate
PubChem CID88738844
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-oxoethyl 2-(4-hydroxyphenoxy)propanoate
SMILESCC(Oc1ccc(O)cc1)C(=O)OCC=O
InChIInChI=1S/C11H12O5/c1-8(11(14)15-7-6-12)16-10-4-2-9(13)3-5-10/h2-6,8,13H,7H2,1H3
InChIKeyYQACVVPHJCTKSJ-UHFFFAOYSA-N
XLogP0.90
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
CID 23325090
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
ethyl (2S)-2-hydroxypropanoate;ethyl (2R)-2-(4-iodophenoxy)propanoate;4-iodophenol
CID 158675061
2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
CID 124562471
2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
CID 23325108
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
N-ethyl-2-(4-hydroxyphenoxy)-N-methylpropanamide
CID 166611028
CID 59993707
CID 59993707

Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl 2-(4-hydroxyphenoxy)propanoate?
The IUPAC name of 2-oxoethyl 2-(4-hydroxyphenoxy)propanoate (CID 88738844) is 2-oxoethyl 2-(4-hydroxyphenoxy)propanoate.
What is the SMILES notation for 2-oxoethyl 2-(4-hydroxyphenoxy)propanoate?
The canonical SMILES for 2-oxoethyl 2-(4-hydroxyphenoxy)propanoate is CC(Oc1ccc(O)cc1)C(=O)OCC=O.
What is the InChIKey of 2-oxoethyl 2-(4-hydroxyphenoxy)propanoate?
The InChIKey is YQACVVPHJCTKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-8(11(14)15-7-6-12)16-10-4-2-9(13)3-5-10/h2-6,8,13H,7H2,1H3.
What are the key properties of 2-oxoethyl 2-(4-hydroxyphenoxy)propanoate?
2-oxoethyl 2-(4-hydroxyphenoxy)propanoate has a molecular weight of 224.21 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl 2-(4-hydroxyphenoxy)propanoate is sourced from PubChem (CID 88738844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).