2-hydroxynaphthalene-1,4-dicarboxylic acid

C12H8O5 — CID 70121487

IUPAC2-hydroxynaphthalene-1,4-dicarboxylic acid
SMILESO=C(O)c1cc(O)c(C(=O)O)c2ccccc12
InChIInChI=1S/C12H8O5/c13-9-5-8(11(14)15)6-3-1-2-4-7(6)10(9)12(16)17/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyKMEXWMGYAPHHDV-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.94
Rot. Bonds2

About 2-hydroxynaphthalene-1,4-dicarboxylic acid

2-hydroxynaphthalene-1,4-dicarboxylic acid (PubChem CID 70121487) has the molecular formula C12H8O5 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-hydroxynaphthalene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name2-hydroxynaphthalene-1,4-dicarboxylic acid
PubChem CID70121487
Molecular FormulaC12H8O5
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name2-hydroxynaphthalene-1,4-dicarboxylic acid
SMILESO=C(O)c1cc(O)c(C(=O)O)c2ccccc12
InChIInChI=1S/C12H8O5/c13-9-5-8(11(14)15)6-3-1-2-4-7(6)10(9)12(16)17/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyKMEXWMGYAPHHDV-UHFFFAOYSA-N
XLogP1.94
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid
CID 70122105
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
1-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 57137470
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
3-hydroxytriphenylene-2-carboxylic acid
CID 18963666
10-(10-carboxyphenanthrene-9-carbonyl)oxycarbonylphenanthrene-9-carboxylic acid
CID 87985720
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
3-amino-4-hydroxynaphthalene-1-carboxylic acid
CID 45089646
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid
CID 139950866
dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
CID 178181364
1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid
CID 57055286

Frequently Asked Questions

What is the IUPAC name of 2-hydroxynaphthalene-1,4-dicarboxylic acid?
The IUPAC name of 2-hydroxynaphthalene-1,4-dicarboxylic acid (CID 70121487) is 2-hydroxynaphthalene-1,4-dicarboxylic acid.
What is the SMILES notation for 2-hydroxynaphthalene-1,4-dicarboxylic acid?
The canonical SMILES for 2-hydroxynaphthalene-1,4-dicarboxylic acid is O=C(O)c1cc(O)c(C(=O)O)c2ccccc12.
What is the InChIKey of 2-hydroxynaphthalene-1,4-dicarboxylic acid?
The InChIKey is KMEXWMGYAPHHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5/c13-9-5-8(11(14)15)6-3-1-2-4-7(6)10(9)12(16)17/h1-5,13H,(H,14,15)(H,16,17).
What are the key properties of 2-hydroxynaphthalene-1,4-dicarboxylic acid?
2-hydroxynaphthalene-1,4-dicarboxylic acid has a molecular weight of 232.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxynaphthalene-1,4-dicarboxylic acid is sourced from PubChem (CID 70121487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).