methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate

C12H14O7 — CID 130260315

IUPACmethyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1OC(=O)CO
InChIInChI=1S/C12H14O7/c1-16-9-4-7(12(15)18-3)8(5-10(9)17-2)19-11(14)6-13/h4-5,13H,6H2,1-3H3
InChIKeyPPSZQVOCVAVLDO-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.39
Rot. Bonds5

About methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate

methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate (PubChem CID 130260315) has the molecular formula C12H14O7 and a molecular weight of 270.24 g/mol. Its IUPAC name is methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate
PubChem CID130260315
Molecular FormulaC12H14O7
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Namemethyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1OC(=O)CO
InChIInChI=1S/C12H14O7/c1-16-9-4-7(12(15)18-3)8(5-10(9)17-2)19-11(14)6-13/h4-5,13H,6H2,1-3H3
InChIKeyPPSZQVOCVAVLDO-UHFFFAOYSA-N
XLogP0.39
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543
methyl 2-[(1S)-1-amino-2-hydroxyethyl]-4,5-dimethoxybenzoate
CID 66515274
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
2-hydroxyethyl 2,4,5-trimethoxybenzoate
CID 35514388
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
methyl 2-(3,3-dimethylbutanoylamino)-4,5-dimethoxybenzoate
CID 2104071
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
methyl 2-cyano-4-(hydroxymethyl)-5-methoxybenzoate
CID 134647481

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate (CID 130260315) is methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1OC(=O)CO.
What is the InChIKey of methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate?
The InChIKey is PPSZQVOCVAVLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O7/c1-16-9-4-7(12(15)18-3)8(5-10(9)17-2)19-11(14)6-13/h4-5,13H,6H2,1-3H3.
What are the key properties of methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate?
methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate has a molecular weight of 270.24 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyacetyl)oxy-4,5-dimethoxybenzoate is sourced from PubChem (CID 130260315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).