4-hydroxybenzene-1,3-dicarboxylic acid

C16H12O10 — CID 161113247

IUPAC4-hydroxybenzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(O)c(C(=O)O)c1.O=C(O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/2C8H6O5/c2*9-6-2-1-4(7(10)11)3-5(6)8(12)13/h2*1-3,9H,(H,10,11)(H,12,13)
InChIKeyUJYZTZFCXKRHCX-UHFFFAOYSA-N
MW364.26 g/mol
LogP1.58
Rot. Bonds4

About 4-hydroxybenzene-1,3-dicarboxylic acid

4-hydroxybenzene-1,3-dicarboxylic acid (PubChem CID 161113247) has the molecular formula C16H12O10 and a molecular weight of 364.26 g/mol. Its IUPAC name is 4-hydroxybenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxybenzene-1,3-dicarboxylic acid
PubChem CID161113247
Molecular FormulaC16H12O10
Molecular Weight364.26 g/mol
Exact Mass364.04
IUPAC Name4-hydroxybenzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(O)c(C(=O)O)c1.O=C(O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/2C8H6O5/c2*9-6-2-1-4(7(10)11)3-5(6)8(12)13/h2*1-3,9H,(H,10,11)(H,12,13)
InChIKeyUJYZTZFCXKRHCX-UHFFFAOYSA-N
XLogP1.58
TPSA189.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 51.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

3-carbonochloridoyl-4-hydroxybenzoic acid
CID 21396972
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 90286784
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
5-[2-(tert-butylamino)acetyl]-2-hydroxybenzoic acid
CID 170132447
4-[3-(2,4-dicarboxyphenyl)-2,4-dihydroxyphenyl]benzene-1,3-dicarboxylic acid
CID 154412145
2,5-dihydroxybenzoic acid;methanol
CID 174970806
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
3-amino-4-hydroxybenzoic acid
CID 161134080

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzene-1,3-dicarboxylic acid?
The IUPAC name of 4-hydroxybenzene-1,3-dicarboxylic acid (CID 161113247) is 4-hydroxybenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-hydroxybenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-hydroxybenzene-1,3-dicarboxylic acid is O=C(O)c1ccc(O)c(C(=O)O)c1.O=C(O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 4-hydroxybenzene-1,3-dicarboxylic acid?
The InChIKey is UJYZTZFCXKRHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6O5/c2*9-6-2-1-4(7(10)11)3-5(6)8(12)13/h2*1-3,9H,(H,10,11)(H,12,13).
What are the key properties of 4-hydroxybenzene-1,3-dicarboxylic acid?
4-hydroxybenzene-1,3-dicarboxylic acid has a molecular weight of 364.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 161113247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).