[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate

C17H16O6 — CID 23988615

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
SMILESCOc1ccccc1C(=O)COC(=O)COc1ccccc1O
InChIInChI=1S/C17H16O6/c1-21-15-8-4-2-6-12(15)14(19)10-23-17(20)11-22-16-9-5-3-7-13(16)18/h2-9,18H,10-11H2,1H3
InChIKeyJQZLWABBEQFFJV-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.21
Rot. Bonds7

About [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate

[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate (PubChem CID 23988615) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
PubChem CID23988615
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
SMILESCOc1ccccc1C(=O)COC(=O)COc1ccccc1O
InChIInChI=1S/C17H16O6/c1-21-15-8-4-2-6-12(15)14(19)10-23-17(20)11-22-16-9-5-3-7-13(16)18/h2-9,18H,10-11H2,1H3
InChIKeyJQZLWABBEQFFJV-UHFFFAOYSA-N
XLogP2.21
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925475
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701600
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842228
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913200
[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642063

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate (CID 23988615) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate is COc1ccccc1C(=O)COC(=O)COc1ccccc1O.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate?
The InChIKey is JQZLWABBEQFFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-21-15-8-4-2-6-12(15)14(19)10-23-17(20)11-22-16-9-5-3-7-13(16)18/h2-9,18H,10-11H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate has a molecular weight of 316.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate is sourced from PubChem (CID 23988615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).