methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate

C10H10O6 — CID 174536286

IUPACmethyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate
SMILESCOC(=O)C1(O)COc2cc(O)ccc2O1
InChIInChI=1S/C10H10O6/c1-14-9(12)10(13)5-15-8-4-6(11)2-3-7(8)16-10/h2-4,11,13H,5H2,1H3
InChIKeyRYCPEKNGBKWNIG-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.03
Rot. Bonds1

About methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate

methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate (PubChem CID 174536286) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate
PubChem CID174536286
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Namemethyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate
SMILESCOC(=O)C1(O)COc2cc(O)ccc2O1
InChIInChI=1S/C10H10O6/c1-14-9(12)10(13)5-15-8-4-6(11)2-3-7(8)16-10/h2-4,11,13H,5H2,1H3
InChIKeyRYCPEKNGBKWNIG-UHFFFAOYSA-N
XLogP0.03
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate?
The IUPAC name of methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate (CID 174536286) is methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate.
What is the SMILES notation for methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate?
The canonical SMILES for methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate is COC(=O)C1(O)COc2cc(O)ccc2O1.
What is the InChIKey of methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate?
The InChIKey is RYCPEKNGBKWNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-14-9(12)10(13)5-15-8-4-6(11)2-3-7(8)16-10/h2-4,11,13H,5H2,1H3.
What are the key properties of methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate?
methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate has a molecular weight of 226.18 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate is sourced from PubChem (CID 174536286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).