[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate

C12H14O5 — CID 70980265

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
SMILESCOc1ccc(C(=O)COC(=O)C(C)O)cc1
InChIInChI=1S/C12H14O5/c1-8(13)12(15)17-7-11(14)9-3-5-10(16-2)6-4-9/h3-6,8,13H,7H2,1-2H3
InChIKeyNPSFYMMNZWCANN-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.80
Rot. Bonds5

About [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate

[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate (PubChem CID 70980265) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
PubChem CID70980265
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
SMILESCOc1ccc(C(=O)COC(=O)C(C)O)cc1
InChIInChI=1S/C12H14O5/c1-8(13)12(15)17-7-11(14)9-3-5-10(16-2)6-4-9/h3-6,8,13H,7H2,1-2H3
InChIKeyNPSFYMMNZWCANN-UHFFFAOYSA-N
XLogP0.80
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-O-[2-(4-methoxyphenyl)-2-oxoethyl] 1-O-methyl 2-methylpropanedioate
CID 175383206
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62332829
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346667
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133621
1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone
CID 21357126
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2415202
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617103
[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate
CID 58710916
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
[2-(4-methoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834012

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate (CID 70980265) is [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate is COc1ccc(C(=O)COC(=O)C(C)O)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate?
The InChIKey is NPSFYMMNZWCANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(13)12(15)17-7-11(14)9-3-5-10(16-2)6-4-9/h3-6,8,13H,7H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate has a molecular weight of 238.24 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate is sourced from PubChem (CID 70980265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).