methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate

C10H11NO6 — CID 171477590

IUPACmethyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate
SMILESCCON1Oc2cc(C(=O)OC)cc(O)c2O1
InChIInChI=1S/C10H11NO6/c1-3-15-11-16-8-5-6(10(13)14-2)4-7(12)9(8)17-11/h4-5,12H,3H2,1-2H3
InChIKeyBNXLTPMFDYRHOA-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.03
Rot. Bonds3

About methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate

methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate (PubChem CID 171477590) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate
PubChem CID171477590
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Namemethyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate
SMILESCCON1Oc2cc(C(=O)OC)cc(O)c2O1
InChIInChI=1S/C10H11NO6/c1-3-15-11-16-8-5-6(10(13)14-2)4-7(12)9(8)17-11/h4-5,12H,3H2,1-2H3
InChIKeyBNXLTPMFDYRHOA-UHFFFAOYSA-N
XLogP1.03
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
methyl 3-fluoro-4,5-dihydroxybenzoate
CID 89407915
methyl 5-hydroxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate;methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 160726810
methyl 7-hydroxy-2-phenyl-1,3-benzodioxole-5-carboxylate
CID 102364536
methyl 7-hydroxy-2-(4-methylphenyl)-1,3-benzodioxole-5-carboxylate
CID 58302915
bromoethane;dimethyl 5-hydroxybenzene-1,3-dicarboxylate
CID 175420883
methyl 3-ethoxy-4-hydroxy-5-iodobenzoate
CID 90422929
methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate
CID 170047349
methyl 3,4-dihydroxy-5-(propylamino)benzoate
CID 141277763
methyl 3,4,5-trihydroxybenzoate;methyl 3,4,5-tris(methoxymethyl)benzoate
CID 175749351
methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate
CID 69030416

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate?
The IUPAC name of methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate (CID 171477590) is methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate.
What is the SMILES notation for methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate?
The canonical SMILES for methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate is CCON1Oc2cc(C(=O)OC)cc(O)c2O1.
What is the InChIKey of methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate?
The InChIKey is BNXLTPMFDYRHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-3-15-11-16-8-5-6(10(13)14-2)4-7(12)9(8)17-11/h4-5,12H,3H2,1-2H3.
What are the key properties of methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate?
methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate has a molecular weight of 241.20 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-4-hydroxy-1,3,2-benzodioxazole-6-carboxylate is sourced from PubChem (CID 171477590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).