4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid

C13H12O5 — CID 73013811

IUPAC4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
SMILESCOc1cc(OC)c2c(O)cc(C(=O)O)cc2c1
InChIInChI=1S/C13H12O5/c1-17-9-4-7-3-8(13(15)16)5-10(14)12(7)11(6-9)18-2/h3-6,14H,1-2H3,(H,15,16)
InChIKeyABRNRMYURPFKRU-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.26
Rot. Bonds3

About 4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid

4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid (PubChem CID 73013811) has the molecular formula C13H12O5 and a molecular weight of 248.23 g/mol. Its IUPAC name is 4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
PubChem CID73013811
Molecular FormulaC13H12O5
Molecular Weight248.23 g/mol
Exact Mass248.07
IUPAC Name4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
SMILESCOc1cc(OC)c2c(O)cc(C(=O)O)cc2c1
InChIInChI=1S/C13H12O5/c1-17-9-4-7-3-8(13(15)16)5-10(14)12(7)11(6-9)18-2/h3-6,14H,1-2H3,(H,15,16)
InChIKeyABRNRMYURPFKRU-UHFFFAOYSA-N
XLogP2.26
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid (CID 73013811) is 4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid is COc1cc(OC)c2c(O)cc(C(=O)O)cc2c1.
What is the InChIKey of 4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid?
The InChIKey is ABRNRMYURPFKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O5/c1-17-9-4-7-3-8(13(15)16)5-10(14)12(7)11(6-9)18-2/h3-6,14H,1-2H3,(H,15,16).
What are the key properties of 4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid?
4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid has a molecular weight of 248.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 73013811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).