3,5-dimethoxynaphthalene-2-carboxylic acid

C13H12O4 — CID 1253521

IUPAC3,5-dimethoxynaphthalene-2-carboxylic acid
SMILESCOc1cc2c(OC)cccc2cc1C(=O)O
InChIInChI=1S/C13H12O4/c1-16-11-5-3-4-8-6-10(13(14)15)12(17-2)7-9(8)11/h3-7H,1-2H3,(H,14,15)
InChIKeyVTPNSKNCVKIPIX-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.56
Rot. Bonds3

About 3,5-dimethoxynaphthalene-2-carboxylic acid

3,5-dimethoxynaphthalene-2-carboxylic acid (PubChem CID 1253521) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3,5-dimethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethoxynaphthalene-2-carboxylic acid
PubChem CID1253521
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name3,5-dimethoxynaphthalene-2-carboxylic acid
SMILESCOc1cc2c(OC)cccc2cc1C(=O)O
InChIInChI=1S/C13H12O4/c1-16-11-5-3-4-8-6-10(13(14)15)12(17-2)7-9(8)11/h3-7H,1-2H3,(H,14,15)
InChIKeyVTPNSKNCVKIPIX-UHFFFAOYSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 3,5-dimethoxynaphthalene-2-carboxylic acid (CID 1253521) is 3,5-dimethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3,5-dimethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3,5-dimethoxynaphthalene-2-carboxylic acid is COc1cc2c(OC)cccc2cc1C(=O)O.
What is the InChIKey of 3,5-dimethoxynaphthalene-2-carboxylic acid?
The InChIKey is VTPNSKNCVKIPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-16-11-5-3-4-8-6-10(13(14)15)12(17-2)7-9(8)11/h3-7H,1-2H3,(H,14,15).
What are the key properties of 3,5-dimethoxynaphthalene-2-carboxylic acid?
3,5-dimethoxynaphthalene-2-carboxylic acid has a molecular weight of 232.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 1253521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).