methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate

C16H14O5 — CID 10827050

IUPACmethyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate
SMILESCOC(=O)COc1cccc(O)c1C(=O)c1ccccc1
InChIInChI=1S/C16H14O5/c1-20-14(18)10-21-13-9-5-8-12(17)15(13)16(19)11-6-3-2-4-7-11/h2-9,17H,10H2,1H3
InChIKeyKDBPYPIMVUQKCH-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.17
Rot. Bonds5

About methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate

methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate (PubChem CID 10827050) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate
PubChem CID10827050
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Namemethyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate
SMILESCOC(=O)COc1cccc(O)c1C(=O)c1ccccc1
InChIInChI=1S/C16H14O5/c1-20-14(18)10-21-13-9-5-8-12(17)15(13)16(19)11-6-3-2-4-7-11/h2-9,17H,10H2,1H3
InChIKeyKDBPYPIMVUQKCH-UHFFFAOYSA-N
XLogP2.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-6-(2-methoxy-2-oxoethoxy)benzoic acid
CID 21250849
methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate
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2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
methyl 2-(2-formylphenoxy)acetate
CID 5151625
CID 58544147
CID 58544147
methyl 2-(2-sulfamoylphenoxy)acetate
CID 15702321
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
methyl 2-[3-hydroxy-2-[3-(6-methylcyclohexa-2,4-dien-1-yl)prop-2-enoyl]phenoxy]acetate
CID 67136018
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate
CID 143093079
methyl 2-(3-amino-2-methylphenoxy)acetate
CID 43437919

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate?
The IUPAC name of methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate (CID 10827050) is methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate.
What is the SMILES notation for methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate?
The canonical SMILES for methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate is COC(=O)COc1cccc(O)c1C(=O)c1ccccc1.
What is the InChIKey of methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate?
The InChIKey is KDBPYPIMVUQKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-14(18)10-21-13-9-5-8-12(17)15(13)16(19)11-6-3-2-4-7-11/h2-9,17H,10H2,1H3.
What are the key properties of methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate?
methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate has a molecular weight of 286.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate is sourced from PubChem (CID 10827050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).