3-hydroxy-7-methoxynaphthalene-2-carboxylic acid

C12H10O4 — CID 608330

IUPAC3-hydroxy-7-methoxynaphthalene-2-carboxylic acid
SMILESCOc1ccc2cc(O)c(C(=O)O)cc2c1
InChIInChI=1S/C12H10O4/c1-16-9-3-2-7-6-11(13)10(12(14)15)5-8(7)4-9/h2-6,13H,1H3,(H,14,15)
InChIKeyUDAQUPSJOGVPIX-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.25
Rot. Bonds2

About 3-hydroxy-7-methoxynaphthalene-2-carboxylic acid

3-hydroxy-7-methoxynaphthalene-2-carboxylic acid (PubChem CID 608330) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-hydroxy-7-methoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-7-methoxynaphthalene-2-carboxylic acid
PubChem CID608330
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name3-hydroxy-7-methoxynaphthalene-2-carboxylic acid
SMILESCOc1ccc2cc(O)c(C(=O)O)cc2c1
InChIInChI=1S/C12H10O4/c1-16-9-3-2-7-6-11(13)10(12(14)15)5-8(7)4-9/h2-6,13H,1H3,(H,14,15)
InChIKeyUDAQUPSJOGVPIX-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 3-hydroxy-7-methoxynaphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-7-methoxynaphthalene-2-carboxylic acid (CID 608330) is 3-hydroxy-7-methoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-7-methoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-7-methoxynaphthalene-2-carboxylic acid is COc1ccc2cc(O)c(C(=O)O)cc2c1.
What is the InChIKey of 3-hydroxy-7-methoxynaphthalene-2-carboxylic acid?
The InChIKey is UDAQUPSJOGVPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-16-9-3-2-7-6-11(13)10(12(14)15)5-8(7)4-9/h2-6,13H,1H3,(H,14,15).
What are the key properties of 3-hydroxy-7-methoxynaphthalene-2-carboxylic acid?
3-hydroxy-7-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 3-hydroxy-7-methoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 608330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).