5-methoxynaphthalene-2,3-dicarboxylic acid

C13H10O5 — CID 10467078

IUPAC5-methoxynaphthalene-2,3-dicarboxylic acid
SMILESCOc1cccc2cc(C(=O)O)c(C(=O)O)cc12
InChIInChI=1S/C13H10O5/c1-18-11-4-2-3-7-5-9(12(14)15)10(13(16)17)6-8(7)11/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyLSNWNWQKFBPREQ-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.24
Rot. Bonds3

About 5-methoxynaphthalene-2,3-dicarboxylic acid

5-methoxynaphthalene-2,3-dicarboxylic acid (PubChem CID 10467078) has the molecular formula C13H10O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-methoxynaphthalene-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-methoxynaphthalene-2,3-dicarboxylic acid
PubChem CID10467078
Molecular FormulaC13H10O5
Molecular Weight246.22 g/mol
Exact Mass246.05
IUPAC Name5-methoxynaphthalene-2,3-dicarboxylic acid
SMILESCOc1cccc2cc(C(=O)O)c(C(=O)O)cc12
InChIInChI=1S/C13H10O5/c1-18-11-4-2-3-7-5-9(12(14)15)10(13(16)17)6-8(7)11/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyLSNWNWQKFBPREQ-UHFFFAOYSA-N
XLogP2.24
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxyphenanthrene-2-carboxylic acid
CID 44721157
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-amino-8-methoxyquinoline-3-carboxylic acid
CID 84622747
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid
CID 130396444
2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
CID 66808047
4-(8-methoxynaphthalen-2-yl)-2-methylbenzene-1,3-dicarboxylic acid
CID 174530464
8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
CID 15179627
4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
CID 62136478
8-methoxy-1-methylnaphthalene-2-carboxylic acid
CID 115057552
2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid
CID 174445455

Frequently Asked Questions

What is the IUPAC name of 5-methoxynaphthalene-2,3-dicarboxylic acid?
The IUPAC name of 5-methoxynaphthalene-2,3-dicarboxylic acid (CID 10467078) is 5-methoxynaphthalene-2,3-dicarboxylic acid.
What is the SMILES notation for 5-methoxynaphthalene-2,3-dicarboxylic acid?
The canonical SMILES for 5-methoxynaphthalene-2,3-dicarboxylic acid is COc1cccc2cc(C(=O)O)c(C(=O)O)cc12.
What is the InChIKey of 5-methoxynaphthalene-2,3-dicarboxylic acid?
The InChIKey is LSNWNWQKFBPREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O5/c1-18-11-4-2-3-7-5-9(12(14)15)10(13(16)17)6-8(7)11/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-methoxynaphthalene-2,3-dicarboxylic acid?
5-methoxynaphthalene-2,3-dicarboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxynaphthalene-2,3-dicarboxylic acid is sourced from PubChem (CID 10467078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).