5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid

C20H18O8 — CID 175532259

IUPAC5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2C(=O)O)c(C)c(C)c1C
InChIInChI=1S/C20H18O8/c1-7-5-11(10(4)9(3)8(7)2)12-6-13(17(21)22)15(19(25)26)16(20(27)28)14(12)18(23)24/h5-6H,1-4H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
InChIKeyOMYGIOAIYASURI-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.38
Rot. Bonds5

About 5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid

5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid (PubChem CID 175532259) has the molecular formula C20H18O8 and a molecular weight of 386.36 g/mol. Its IUPAC name is 5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid
PubChem CID175532259
Molecular FormulaC20H18O8
Molecular Weight386.36 g/mol
Exact Mass386.10
IUPAC Name5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2C(=O)O)c(C)c(C)c1C
InChIInChI=1S/C20H18O8/c1-7-5-11(10(4)9(3)8(7)2)12-6-13(17(21)22)15(19(25)26)16(20(27)28)14(12)18(23)24/h5-6H,1-4H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
InChIKeyOMYGIOAIYASURI-UHFFFAOYSA-N
XLogP3.38
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid (CID 175532259) is 5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid is Cc1cc(-c2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2C(=O)O)c(C)c(C)c1C.
What is the InChIKey of 5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid?
The InChIKey is OMYGIOAIYASURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O8/c1-7-5-11(10(4)9(3)8(7)2)12-6-13(17(21)22)15(19(25)26)16(20(27)28)14(12)18(23)24/h5-6H,1-4H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28).
What are the key properties of 5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid?
5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid has a molecular weight of 386.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5-tetramethylphenyl)benzene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 175532259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).