2-hydroxynaphthalene-1,8-dicarboxylic acid

C12H8O5 — CID 19938987

IUPAC2-hydroxynaphthalene-1,8-dicarboxylic acid
SMILESO=C(O)c1cccc2ccc(O)c(C(=O)O)c12
InChIInChI=1S/C12H8O5/c13-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)12(16)17/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyDHHUXCCELSPDDU-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.94
Rot. Bonds2

About 2-hydroxynaphthalene-1,8-dicarboxylic acid

2-hydroxynaphthalene-1,8-dicarboxylic acid (PubChem CID 19938987) has the molecular formula C12H8O5 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-hydroxynaphthalene-1,8-dicarboxylic acid.

Molecular Properties

Compound Name2-hydroxynaphthalene-1,8-dicarboxylic acid
PubChem CID19938987
Molecular FormulaC12H8O5
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name2-hydroxynaphthalene-1,8-dicarboxylic acid
SMILESO=C(O)c1cccc2ccc(O)c(C(=O)O)c12
InChIInChI=1S/C12H8O5/c13-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)12(16)17/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyDHHUXCCELSPDDU-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

benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,8-dicarboxylic acid;silver
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sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
2-acetyloxynaphthalene-1,8-dicarboxylic acid
CID 67684685
anthracene-1,9-dicarboxylic acid
CID 13155838
5,8-dihydroxynaphthalene-1-carboxylic acid
CID 68625233
coronene;phthalic acid
CID 174757958
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
naphthalene-1,2,4,8-tetracarboxylic acid
CID 21270256
2-bromo-3-chloronaphthalene-1,8-dicarboxylic acid
CID 70631094
2-hydroxybenzoic acid;praseodymium
CID 87786006
7,8-dihydroxynaphthalene-1,6-dicarboxylic acid
CID 71430737

Frequently Asked Questions

What is the IUPAC name of 2-hydroxynaphthalene-1,8-dicarboxylic acid?
The IUPAC name of 2-hydroxynaphthalene-1,8-dicarboxylic acid (CID 19938987) is 2-hydroxynaphthalene-1,8-dicarboxylic acid.
What is the SMILES notation for 2-hydroxynaphthalene-1,8-dicarboxylic acid?
The canonical SMILES for 2-hydroxynaphthalene-1,8-dicarboxylic acid is O=C(O)c1cccc2ccc(O)c(C(=O)O)c12.
What is the InChIKey of 2-hydroxynaphthalene-1,8-dicarboxylic acid?
The InChIKey is DHHUXCCELSPDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5/c13-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)12(16)17/h1-5,13H,(H,14,15)(H,16,17).
What are the key properties of 2-hydroxynaphthalene-1,8-dicarboxylic acid?
2-hydroxynaphthalene-1,8-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-1,8-dicarboxylic acid is sourced from PubChem (CID 19938987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).