(2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate

C12H14O5 — CID 21326469

IUPAC(2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)COC(=O)C(C)c1ccc(O)cc1
InChIInChI=1S/C12H14O5/c1-8(9-3-5-10(13)6-4-9)12(15)17-7-11(14)16-2/h3-6,8,13H,7H2,1-2H3
InChIKeyYTKKQNDETJMYJG-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.21
Rot. Bonds4

About (2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate

(2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate (PubChem CID 21326469) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate
PubChem CID21326469
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name(2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)COC(=O)C(C)c1ccc(O)cc1
InChIInChI=1S/C12H14O5/c1-8(9-3-5-10(13)6-4-9)12(15)17-7-11(14)16-2/h3-6,8,13H,7H2,1-2H3
InChIKeyYTKKQNDETJMYJG-UHFFFAOYSA-N
XLogP1.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate
CID 54042669
phosphanyl 2-(4-hydroxyphenyl)propanoate
CID 121404304
(2-methoxy-2-oxoethyl) 2-methylpropanoate
CID 18740014
methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
CID 59253984
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate
CID 54422834
methyl 2-amino-3-(4-hydroxyphenyl)butanoate
CID 83909294
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 62393477
methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate
CID 11021883
methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate
CID 124565179
(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 86330548
ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate
CID 64580660

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate (CID 21326469) is (2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate is COC(=O)COC(=O)C(C)c1ccc(O)cc1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate?
The InChIKey is YTKKQNDETJMYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(9-3-5-10(13)6-4-9)12(15)17-7-11(14)16-2/h3-6,8,13H,7H2,1-2H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate?
(2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate has a molecular weight of 238.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 21326469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).