methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate

C13H16O6 — CID 11021883

IUPACmethyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate
SMILESCOC(=O)COC(Cc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C13H16O6/c1-17-12(15)8-19-11(13(16)18-2)7-9-3-5-10(14)6-4-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeySCWMAELHBQXEDD-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.67
Rot. Bonds6

About methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate

methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate (PubChem CID 11021883) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate
PubChem CID11021883
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Namemethyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate
SMILESCOC(=O)COC(Cc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C13H16O6/c1-17-12(15)8-19-11(13(16)18-2)7-9-3-5-10(14)6-4-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeySCWMAELHBQXEDD-UHFFFAOYSA-N
XLogP0.67
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 2-[(4-hydroxyphenyl)methyl]butanoate
CID 22988421
methyl 2-[(4-hydroxyphenyl)methyl]-3-oxobutanoate
CID 54108522
methyl (2S)-2-(deuterioamino)-3-(4-hydroxyphenyl)propanoate
CID 162457084
3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine
CID 173177710
propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate
CID 68679680
methyl (2S)-3-(4-hydroxyphenyl)-2-(methylideneamino)propanoate
CID 145050952
cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate
CID 87864790
methyl 2-aminooxy-3-(4-methylphenyl)propanoate
CID 163416905
barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 173177553
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate?
The IUPAC name of methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate (CID 11021883) is methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate.
What is the SMILES notation for methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate?
The canonical SMILES for methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate is COC(=O)COC(Cc1ccc(O)cc1)C(=O)OC.
What is the InChIKey of methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate?
The InChIKey is SCWMAELHBQXEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-17-12(15)8-19-11(13(16)18-2)7-9-3-5-10(14)6-4-9/h3-6,11,14H,7-8H2,1-2H3.
What are the key properties of methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate?
methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate has a molecular weight of 268.26 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate is sourced from PubChem (CID 11021883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).