3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid

C14H10O6 — CID 175459073

IUPAC3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(O)c(C(=O)O)c2O)cc1
InChIInChI=1S/C14H10O6/c15-10-6-5-9(12(16)11(10)14(19)20)7-1-3-8(4-2-7)13(17)18/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKeyZDCIDJJMLHWCNQ-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.16
Rot. Bonds3

About 3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid

3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid (PubChem CID 175459073) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid.

Molecular Properties

Compound Name3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid
PubChem CID175459073
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(O)c(C(=O)O)c2O)cc1
InChIInChI=1S/C14H10O6/c15-10-6-5-9(12(16)11(10)14(19)20)7-1-3-8(4-2-7)13(17)18/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKeyZDCIDJJMLHWCNQ-UHFFFAOYSA-N
XLogP2.16
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid?
The IUPAC name of 3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid (CID 175459073) is 3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid.
What is the SMILES notation for 3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid?
The canonical SMILES for 3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid is O=C(O)c1ccc(-c2ccc(O)c(C(=O)O)c2O)cc1.
What is the InChIKey of 3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid?
The InChIKey is ZDCIDJJMLHWCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c15-10-6-5-9(12(16)11(10)14(19)20)7-1-3-8(4-2-7)13(17)18/h1-6,15-16H,(H,17,18)(H,19,20).
What are the key properties of 3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid?
3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid has a molecular weight of 274.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carboxyphenyl)-2,6-dihydroxybenzoic acid is sourced from PubChem (CID 175459073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).