2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid

C19H16O8 — CID 18003943

IUPAC2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid
SMILESO=C(O)C(C(=O)O)(C(=O)O)C(Cc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H16O8/c20-14(21)18(13-9-5-2-6-10-13,11-12-7-3-1-4-8-12)19(15(22)23,16(24)25)17(26)27/h1-10H,11H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKeyRIUQGYSJDINMRC-UHFFFAOYSA-N
MW372.33 g/mol
LogP1.49
Rot. Bonds8

About 2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid

2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid (PubChem CID 18003943) has the molecular formula C19H16O8 and a molecular weight of 372.33 g/mol. Its IUPAC name is 2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid.

Molecular Properties

Compound Name2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid
PubChem CID18003943
Molecular FormulaC19H16O8
Molecular Weight372.33 g/mol
Exact Mass372.08
IUPAC Name2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid
SMILESO=C(O)C(C(=O)O)(C(=O)O)C(Cc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H16O8/c20-14(21)18(13-9-5-2-6-10-13,11-12-7-3-1-4-8-12)19(15(22)23,16(24)25)17(26)27/h1-10H,11H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKeyRIUQGYSJDINMRC-UHFFFAOYSA-N
XLogP1.49
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-3-phenylpropanoic acid
CID 69365338
1,1,2-triphenylethyl carbonochloridate
CID 87256943
2,2,3-triphenylpropanethioic S-acid
CID 154321900
4-[1-(4-carboxyphenyl)-1,2-diphenylethyl]benzoic acid
CID 139678861
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride
CID 174967849
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2R)-2-amino-2-chloro-3-phenylpropanoic acid
CID 21116120
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid?
The IUPAC name of 2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid (CID 18003943) is 2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid.
What is the SMILES notation for 2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid?
The canonical SMILES for 2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid is O=C(O)C(C(=O)O)(C(=O)O)C(Cc1ccccc1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid?
The InChIKey is RIUQGYSJDINMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O8/c20-14(21)18(13-9-5-2-6-10-13,11-12-7-3-1-4-8-12)19(15(22)23,16(24)25)17(26)27/h1-10H,11H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid?
2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid has a molecular weight of 372.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid is sourced from PubChem (CID 18003943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).