2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid

C20H18O10 — CID 139878478

IUPAC2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)CC(C(=O)O)(c1ccc(O)cc1)C(CC(=O)O)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)19(17(27)28,9-15(23)24)20(18(29)30,10-16(25)26)12-3-7-14(22)8-4-12/h1-8,21-22H,9-10H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyBZKGGBVKGMMBJF-UHFFFAOYSA-N
MW418.35 g/mol
LogP1.39
Rot. Bonds9

About 2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid

2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid (PubChem CID 139878478) has the molecular formula C20H18O10 and a molecular weight of 418.35 g/mol. Its IUPAC name is 2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid
PubChem CID139878478
Molecular FormulaC20H18O10
Molecular Weight418.35 g/mol
Exact Mass418.09
IUPAC Name2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)CC(C(=O)O)(c1ccc(O)cc1)C(CC(=O)O)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)19(17(27)28,9-15(23)24)20(18(29)30,10-16(25)26)12-3-7-14(22)8-4-12/h1-8,21-22H,9-10H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyBZKGGBVKGMMBJF-UHFFFAOYSA-N
XLogP1.39
TPSA189.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.35
LogP ≤ 51.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
CID 84670441
4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid
CID 84738454
4-(hydroxymethyl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175404414
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
bis(benzene-1,4-diol);carbonic acid
CID 68999082
2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid
CID 117049200
2-(4-hydroxyphenyl)-2-sulfanylbutanoic acid
CID 87184437
2,2-bis(4-hydroxyphenyl)nonanedioic acid
CID 68957715
5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid
CID 138465689
4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid
CID 117049848
bis(benzene-1,4-diol);carbonic acid;propane
CID 70469220
4-hydroxy(11C)benzoic acid
CID 11275035

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid (CID 139878478) is 2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid is O=C(O)CC(C(=O)O)(c1ccc(O)cc1)C(CC(=O)O)(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid?
The InChIKey is BZKGGBVKGMMBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O10/c21-13-5-1-11(2-6-13)19(17(27)28,9-15(23)24)20(18(29)30,10-16(25)26)12-3-7-14(22)8-4-12/h1-8,21-22H,9-10H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30).
What are the key properties of 2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid?
2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid has a molecular weight of 418.35 g/mol, XLogP of 1.39, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 139878478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).