4-hydroxyphthalic acid

C8H6O5 — CID 11881

IUPAC4-hydroxyphthalic acid
SMILESO=C(O)c1ccc(O)cc1C(=O)O
InChIInChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKeyMWRVRCAFWBBXTL-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.79
Rot. Bonds2

About 4-hydroxyphthalic acid

4-hydroxyphthalic acid (PubChem CID 11881) has the molecular formula C8H6O5 and a molecular weight of 182.13 g/mol. Its IUPAC name is 4-hydroxyphthalic acid.

Molecular Properties

Compound Name4-hydroxyphthalic acid
PubChem CID11881
Molecular FormulaC8H6O5
Molecular Weight182.13 g/mol
Exact Mass182.02
IUPAC Name4-hydroxyphthalic acid
SMILESO=C(O)c1ccc(O)cc1C(=O)O
InChIInChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKeyMWRVRCAFWBBXTL-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-hydroxyphthalic acid?
The IUPAC name of 4-hydroxyphthalic acid (CID 11881) is 4-hydroxyphthalic acid.
What is the SMILES notation for 4-hydroxyphthalic acid?
The canonical SMILES for 4-hydroxyphthalic acid is O=C(O)c1ccc(O)cc1C(=O)O.
What is the InChIKey of 4-hydroxyphthalic acid?
The InChIKey is MWRVRCAFWBBXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13).
What are the key properties of 4-hydroxyphthalic acid?
4-hydroxyphthalic 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-hydroxyphthalic acid is sourced from PubChem (CID 11881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).