diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate

C18H20O7 — CID 152610053

IUPACdiethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate
SMILESCCOC(=O)c1cc2cc(OC)c(OC)cc2c(O)c1C(=O)OCC
InChIInChI=1S/C18H20O7/c1-5-24-17(20)12-7-10-8-13(22-3)14(23-4)9-11(10)16(19)15(12)18(21)25-6-2/h7-9,19H,5-6H2,1-4H3
InChIKeyYZIAHPMBKZYYBX-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.92
Rot. Bonds6

About diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate

diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate (PubChem CID 152610053) has the molecular formula C18H20O7 and a molecular weight of 348.35 g/mol. Its IUPAC name is diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate
PubChem CID152610053
Molecular FormulaC18H20O7
Molecular Weight348.35 g/mol
Exact Mass348.12
IUPAC Namediethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate
SMILESCCOC(=O)c1cc2cc(OC)c(OC)cc2c(O)c1C(=O)OCC
InChIInChI=1S/C18H20O7/c1-5-24-17(20)12-7-10-8-13(22-3)14(23-4)9-11(10)16(19)15(12)18(21)25-6-2/h7-9,19H,5-6H2,1-4H3
InChIKeyYZIAHPMBKZYYBX-UHFFFAOYSA-N
XLogP2.92
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate?
The IUPAC name of diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate (CID 152610053) is diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate.
What is the SMILES notation for diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate?
The canonical SMILES for diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate is CCOC(=O)c1cc2cc(OC)c(OC)cc2c(O)c1C(=O)OCC.
What is the InChIKey of diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate?
The InChIKey is YZIAHPMBKZYYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O7/c1-5-24-17(20)12-7-10-8-13(22-3)14(23-4)9-11(10)16(19)15(12)18(21)25-6-2/h7-9,19H,5-6H2,1-4H3.
What are the key properties of diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate?
diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate has a molecular weight of 348.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 152610053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).