methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate

C12H10O7 — CID 57384101

IUPACmethyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1cccc(C(=O)C(=O)OC)c1O
InChIInChI=1S/C12H10O7/c1-18-11(16)9(14)6-4-3-5-7(8(6)13)10(15)12(17)19-2/h3-5,13H,1-2H3
InChIKeyNLMPIJLVRUDALO-UHFFFAOYSA-N
MW266.20 g/mol
LogP0.10
Rot. Bonds4

About methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate

methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate (PubChem CID 57384101) has the molecular formula C12H10O7 and a molecular weight of 266.20 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate
PubChem CID57384101
Molecular FormulaC12H10O7
Molecular Weight266.20 g/mol
Exact Mass266.04
IUPAC Namemethyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1cccc(C(=O)C(=O)OC)c1O
InChIInChI=1S/C12H10O7/c1-18-11(16)9(14)6-4-3-5-7(8(6)13)10(15)12(17)19-2/h3-5,13H,1-2H3
InChIKeyNLMPIJLVRUDALO-UHFFFAOYSA-N
XLogP0.10
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 10890094
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methyl 2-[2-(chloromethyl)phenyl]-2-oxoacetate
CID 14697243
methyl 2-(3-hydroxyphenyl)-2-oxoacetate
CID 19099743
methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate
CID 139974015
methyl 2-[2-[(dimethylamino)methyl]phenyl]-2-oxoacetate
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methyl 2-(5-chloro-2-fluorophenyl)-2-oxoacetate
CID 116919136
3-O-tert-butyl 1-O-methyl 2-hydroxybenzene-1,3-dicarboxylate
CID 174913311
methyl 2-(3-fluoro-4-pyridinyl)-2-oxoacetate
CID 146160461
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl]-2-oxoacetate
CID 126588290

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate?
The IUPAC name of methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate (CID 57384101) is methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate is COC(=O)C(=O)c1cccc(C(=O)C(=O)OC)c1O.
What is the InChIKey of methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate?
The InChIKey is NLMPIJLVRUDALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O7/c1-18-11(16)9(14)6-4-3-5-7(8(6)13)10(15)12(17)19-2/h3-5,13H,1-2H3.
What are the key properties of methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate?
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate has a molecular weight of 266.20 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate is sourced from PubChem (CID 57384101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).