4-hydroxy-8-methoxynaphthalene-2-carboxylic acid

C12H10O4 — CID 58932978

IUPAC4-hydroxy-8-methoxynaphthalene-2-carboxylic acid
SMILESCOc1cccc2c(O)cc(C(=O)O)cc12
InChIInChI=1S/C12H10O4/c1-16-11-4-2-3-8-9(11)5-7(12(14)15)6-10(8)13/h2-6,13H,1H3,(H,14,15)
InChIKeyXWBRXUQOEQJGTJ-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.25
Rot. Bonds2

About 4-hydroxy-8-methoxynaphthalene-2-carboxylic acid

4-hydroxy-8-methoxynaphthalene-2-carboxylic acid (PubChem CID 58932978) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-hydroxy-8-methoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-8-methoxynaphthalene-2-carboxylic acid
PubChem CID58932978
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name4-hydroxy-8-methoxynaphthalene-2-carboxylic acid
SMILESCOc1cccc2c(O)cc(C(=O)O)cc12
InChIInChI=1S/C12H10O4/c1-16-11-4-2-3-8-9(11)5-7(12(14)15)6-10(8)13/h2-6,13H,1H3,(H,14,15)
InChIKeyXWBRXUQOEQJGTJ-UHFFFAOYSA-N
XLogP2.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-hydroxy-8-methoxynaphthalene-2-carboxylic acid (CID 58932978) is 4-hydroxy-8-methoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-8-methoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-8-methoxynaphthalene-2-carboxylic acid is COc1cccc2c(O)cc(C(=O)O)cc12.
What is the InChIKey of 4-hydroxy-8-methoxynaphthalene-2-carboxylic acid?
The InChIKey is XWBRXUQOEQJGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-16-11-4-2-3-8-9(11)5-7(12(14)15)6-10(8)13/h2-6,13H,1H3,(H,14,15).
What are the key properties of 4-hydroxy-8-methoxynaphthalene-2-carboxylic acid?
4-hydroxy-8-methoxynaphthalene-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 58932978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).