4-hydroxybenzene-1,3-dicarboxylic acid

C8H6O5 — CID 12490

IUPAC4-hydroxybenzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKeyBCEQKAQCUWUNML-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.79
Rot. Bonds2

About 4-hydroxybenzene-1,3-dicarboxylic acid

4-hydroxybenzene-1,3-dicarboxylic acid (PubChem CID 12490) has the molecular formula C8H6O5 and a molecular weight of 182.13 g/mol. Its IUPAC name is 4-hydroxybenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxybenzene-1,3-dicarboxylic acid
PubChem CID12490
Molecular FormulaC8H6O5
Molecular Weight182.13 g/mol
Exact Mass182.02
IUPAC Name4-hydroxybenzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKeyBCEQKAQCUWUNML-UHFFFAOYSA-N
XLogP0.79
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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 12490) 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.
What is the InChIKey of 4-hydroxybenzene-1,3-dicarboxylic acid?
The InChIKey is BCEQKAQCUWUNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(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 182.13 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 12490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).