3,5-dihydroxybenzoic acid

C14H12O8 — CID 66745884

IUPAC3,5-dihydroxybenzoic acid
SMILESO=C(O)c1cc(O)cc(O)c1.O=C(O)c1cc(O)cc(O)c1
InChIInChI=1S/2C7H6O4/c2*8-5-1-4(7(10)11)2-6(9)3-5/h2*1-3,8-9H,(H,10,11)
InChIKeyRMIAYMQEYRZXLK-UHFFFAOYSA-N
MW308.24 g/mol
LogP1.59
Rot. Bonds2

About 3,5-dihydroxybenzoic acid

3,5-dihydroxybenzoic acid (PubChem CID 66745884) has the molecular formula C14H12O8 and a molecular weight of 308.24 g/mol. Its IUPAC name is 3,5-dihydroxybenzoic acid.

Molecular Properties

Compound Name3,5-dihydroxybenzoic acid
PubChem CID66745884
Molecular FormulaC14H12O8
Molecular Weight308.24 g/mol
Exact Mass308.05
IUPAC Name3,5-dihydroxybenzoic acid
SMILESO=C(O)c1cc(O)cc(O)c1.O=C(O)c1cc(O)cc(O)c1
InChIInChI=1S/2C7H6O4/c2*8-5-1-4(7(10)11)2-6(9)3-5/h2*1-3,8-9H,(H,10,11)
InChIKeyRMIAYMQEYRZXLK-UHFFFAOYSA-N
XLogP1.59
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.24
LogP ≤ 51.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

bis(3,5-dihydroxybenzoic acid);ethane-1,2-diol
CID 68729740
benzene-1,3,5-triol;benzoic acid
CID 71381756
3-hydroxy-5-sulfobenzoic acid;dihydrate
CID 133109316
3-amino-5-hydroxybenzoic acid;fluoromethane
CID 143667983
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
lithium;dimethyl 5-hydroxybenzene-1,3-dicarboxylate;5-hydroxybenzene-1,3-dicarboxylic acid;hydroxide
CID 157422801
3-(1-aminoethyl)-5-hydroxybenzoic acid
CID 130001368
benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
acetic acid;benzene-1,3,5-triol
CID 53443381

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxybenzoic acid?
The IUPAC name of 3,5-dihydroxybenzoic acid (CID 66745884) 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.O=C(O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxybenzoic acid?
The InChIKey is RMIAYMQEYRZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O4/c2*8-5-1-4(7(10)11)2-6(9)3-5/h2*1-3,8-9H,(H,10,11).
What are the key properties of 3,5-dihydroxybenzoic acid?
3,5-dihydroxybenzoic acid has a molecular weight of 308.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxybenzoic acid is sourced from PubChem (CID 66745884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).