2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid

C12H12O6 — CID 2752043

IUPAC2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid
SMILESCc1c(C(=O)O)c(C)c(C(=O)O)c(C)c1C(=O)O
InChIInChI=1S/C12H12O6/c1-4-7(10(13)14)5(2)9(12(17)18)6(3)8(4)11(15)16/h1-3H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyYJCXTPPWGDHJCL-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.71
Rot. Bonds3

About 2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid

2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid (PubChem CID 2752043) has the molecular formula C12H12O6 and a molecular weight of 252.22 g/mol. Its IUPAC name is 2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid.

Molecular Properties

Compound Name2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid
PubChem CID2752043
Molecular FormulaC12H12O6
Molecular Weight252.22 g/mol
Exact Mass252.06
IUPAC Name2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid
SMILESCc1c(C(=O)O)c(C)c(C(=O)O)c(C)c1C(=O)O
InChIInChI=1S/C12H12O6/c1-4-7(10(13)14)5(2)9(12(17)18)6(3)8(4)11(15)16/h1-3H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyYJCXTPPWGDHJCL-UHFFFAOYSA-N
XLogP1.71
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Pyromellitic Acid
CID 6961
Trimellitic acid
CID 10708
Homophthalic acid
CID 66643
1,3,5-Benzenetricarboxylic acid
CID 11138
3,4-Dimethylbenzoic acid
CID 12073
Mellitic Acid
CID 2334
2,4,6-Trimethylbenzoic acid
CID 10194
1,2,3-Benzenetricarboxylic acid
CID 11288
1,4,5,8-Naphthalenetetracarboxylic acid
CID 31422
4-Methylphthalic acid
CID 20310
Benzenepentacarboxylic Acid
CID 15314
2,4,5-Trimethylbenzoic Acid
CID 10714

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid?
The IUPAC name of 2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid (CID 2752043) is 2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid.
What is the SMILES notation for 2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid?
The canonical SMILES for 2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid is Cc1c(C(=O)O)c(C)c(C(=O)O)c(C)c1C(=O)O.
What is the InChIKey of 2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid?
The InChIKey is YJCXTPPWGDHJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O6/c1-4-7(10(13)14)5(2)9(12(17)18)6(3)8(4)11(15)16/h1-3H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid?
2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid has a molecular weight of 252.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid is sourced from PubChem (CID 2752043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).