5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate

C86H50O42-12 — CID 160703833

About 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate

5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate (PubChem CID 160703833) has the molecular formula C86H50O42-12 and a molecular weight of 1755.30 g/mol. Its IUPAC name is 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate.

Molecular Properties

• Compound Name: 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate
• PubChem CID: 160703833
• Molecular Formula: C86H50O42-12
• Molecular Weight: 1755.30 g/mol
• Exact Mass: 1754.18
• IUPAC Name: 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate
• SMILES: O=C(O)c1cc(-c2ccc(-c3ccc(O)c(C(=O)O)c3)cc2)ccc1O.O=C(O)c1cc(-c2ccc(O)c(C(=O)O)c2)ccc1O.O=C(O)c1cc(C(=O)O)c(O)cc1O.O=C(O)c1cc(O)c(C(=O)O)cc1O.O=C([O-])c1cc(-c2ccc(-c3ccc([O-])c(C(=O)[O-])c3)cc2)ccc1[O-].O=C([O-])c1cc(C(=O)[O-])c([O-])cc1[O-].O=C([O-])c1cc([O-])c(C(=O)[O-])cc1[O-]
• InChI: InChI=1S/2C20H14O6.C14H10O6.4C8H6O6/c2*21-17-7-5-13(9-15(17)19(23)24)11-1-2-12(4-3-11)14-6-8-18(22)16(10-14)20(25)26;15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20;2*9-5-1-3(7(11)12)6(10)2-4(5)8(13)14;2*9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h2*1-10,21-22H,(H,23,24)(H,25,26);1-6,15-16H,(H,17,18)(H,19,20);4*1-2,9-10H,(H,11,12)(H,13,14)/p-12
• InChIKey: RQYPNLQWJUKOJE-UHFFFAOYSA-B
• XLogP: -0.01
• TPSA: 839.38 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1755.30
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate?

The IUPAC name of 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate (CID 160703833) is 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate.

What is the SMILES notation for 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate?

The canonical SMILES for 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate is O=C(O)c1cc(-c2ccc(-c3ccc(O)c(C(=O)O)c3)cc2)ccc1O.O=C(O)c1cc(-c2ccc(O)c(C(=O)O)c2)ccc1O.O=C(O)c1cc(C(=O)O)c(O)cc1O.O=C(O)c1cc(O)c(C(=O)O)cc1O.O=C([O-])c1cc(-c2ccc(-c3ccc([O-])c(C(=O)[O-])c3)cc2)ccc1[O-].O=C([O-])c1cc(C(=O)[O-])c([O-])cc1[O-].O=C([O-])c1cc([O-])c(C(=O)[O-])cc1[O-].

What is the InChIKey of 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate?

The InChIKey is RQYPNLQWJUKOJE-UHFFFAOYSA-B. The full InChI is InChI=1S/2C20H14O6.C14H10O6.4C8H6O6/c2*21-17-7-5-13(9-15(17)19(23)24)11-1-2-12(4-3-11)14-6-8-18(22)16(10-14)20(25)26;15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20;2*9-5-1-3(7(11)12)6(10)2-4(5)8(13)14;2*9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h2*1-10,21-22H,(H,23,24)(H,25,26);1-6,15-16H,(H,17,18)(H,19,20);4*1-2,9-10H,(H,11,12)(H,13,14)/p-12.

What are the key properties of 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate?

5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate has a molecular weight of 1755.30 g/mol, XLogP of -0.01, 19 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;5-[4-(3-carboxy-4-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid;5-[4-(3-carboxylato-4-oxidophenyl)phenyl]-2-oxidobenzoate;4,6-dihydroxybenzene-1,3-dicarboxylic acid;2,5-dihydroxyterephthalic acid;4,6-dioxidobenzene-1,3-dicarboxylate;2,5-dioxidoterephthalate is sourced from PubChem (CID 160703833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).