2-phenylbenzene-1,3,5-tricarboxylic acid

C15H10O6 — CID 787250

IUPAC2-phenylbenzene-1,3,5-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H10O6/c16-13(17)9-6-10(14(18)19)12(11(7-9)15(20)21)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKeySOBWEZVBQVVHFF-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.45
Rot. Bonds4

About 2-phenylbenzene-1,3,5-tricarboxylic acid

2-phenylbenzene-1,3,5-tricarboxylic acid (PubChem CID 787250) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-phenylbenzene-1,3,5-tricarboxylic acid.

Molecular Properties

Compound Name2-phenylbenzene-1,3,5-tricarboxylic acid
PubChem CID787250
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name2-phenylbenzene-1,3,5-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H10O6/c16-13(17)9-6-10(14(18)19)12(11(7-9)15(20)21)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKeySOBWEZVBQVVHFF-UHFFFAOYSA-N
XLogP2.45
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylbenzene-1,3,5-tricarboxylic acid?
The IUPAC name of 2-phenylbenzene-1,3,5-tricarboxylic acid (CID 787250) is 2-phenylbenzene-1,3,5-tricarboxylic acid.
What is the SMILES notation for 2-phenylbenzene-1,3,5-tricarboxylic acid?
The canonical SMILES for 2-phenylbenzene-1,3,5-tricarboxylic acid is O=C(O)c1cc(C(=O)O)c(-c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 2-phenylbenzene-1,3,5-tricarboxylic acid?
The InChIKey is SOBWEZVBQVVHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6/c16-13(17)9-6-10(14(18)19)12(11(7-9)15(20)21)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-phenylbenzene-1,3,5-tricarboxylic acid?
2-phenylbenzene-1,3,5-tricarboxylic acid has a molecular weight of 286.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzene-1,3,5-tricarboxylic acid is sourced from PubChem (CID 787250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).