3,5-dihydroxybenzoic acid

C7H6O4 — CID 7424

IUPAC3,5-dihydroxybenzoic acid
SMILESO=C(O)c1cc(O)cc(O)c1
InChIInChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChIKeyUYEMGAFJOZZIFP-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.80
Rot. Bonds1

About 3,5-dihydroxybenzoic acid

3,5-dihydroxybenzoic acid (PubChem CID 7424) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 3,5-dihydroxybenzoic acid.

Molecular Properties

Compound Name3,5-dihydroxybenzoic acid
PubChem CID7424
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name3,5-dihydroxybenzoic acid
SMILESO=C(O)c1cc(O)cc(O)c1
InChIInChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChIKeyUYEMGAFJOZZIFP-UHFFFAOYSA-N
XLogP0.80
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxybenzoic acid?
The IUPAC name of 3,5-dihydroxybenzoic acid (CID 7424) is 3,5-dihydroxybenzoic acid.
What is the SMILES notation for 3,5-dihydroxybenzoic acid?
The canonical SMILES for 3,5-dihydroxybenzoic acid is O=C(O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxybenzoic acid?
The InChIKey is UYEMGAFJOZZIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11).
What are the key properties of 3,5-dihydroxybenzoic acid?
3,5-dihydroxybenzoic acid has a molecular weight of 154.12 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxybenzoic acid is sourced from PubChem (CID 7424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).