methyl 2-methyl-1,4-benzodioxine-3-carboxylate

C11H10O4 — CID 10536259

IUPACmethyl 2-methyl-1,4-benzodioxine-3-carboxylate
SMILESCOC(=O)C1=C(C)Oc2ccccc2O1
InChIInChI=1S/C11H10O4/c1-7-10(11(12)13-2)15-9-6-4-3-5-8(9)14-7/h3-6H,1-2H3
InChIKeyGXTKBBDXUJXPMD-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.86
Rot. Bonds1

About methyl 2-methyl-1,4-benzodioxine-3-carboxylate

methyl 2-methyl-1,4-benzodioxine-3-carboxylate (PubChem CID 10536259) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-methyl-1,4-benzodioxine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1,4-benzodioxine-3-carboxylate
PubChem CID10536259
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Namemethyl 2-methyl-1,4-benzodioxine-3-carboxylate
SMILESCOC(=O)C1=C(C)Oc2ccccc2O1
InChIInChI=1S/C11H10O4/c1-7-10(11(12)13-2)15-9-6-4-3-5-8(9)14-7/h3-6H,1-2H3
InChIKeyGXTKBBDXUJXPMD-UHFFFAOYSA-N
XLogP1.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1,4-benzodioxine-3-carboxylate?
The IUPAC name of methyl 2-methyl-1,4-benzodioxine-3-carboxylate (CID 10536259) is methyl 2-methyl-1,4-benzodioxine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-1,4-benzodioxine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-1,4-benzodioxine-3-carboxylate is COC(=O)C1=C(C)Oc2ccccc2O1.
What is the InChIKey of methyl 2-methyl-1,4-benzodioxine-3-carboxylate?
The InChIKey is GXTKBBDXUJXPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-7-10(11(12)13-2)15-9-6-4-3-5-8(9)14-7/h3-6H,1-2H3.
What are the key properties of methyl 2-methyl-1,4-benzodioxine-3-carboxylate?
methyl 2-methyl-1,4-benzodioxine-3-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1,4-benzodioxine-3-carboxylate is sourced from PubChem (CID 10536259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).