4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid

C30H30O6 — CID 23586555

IUPAC4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid
SMILESCc1cc(C(=O)c2cc(C(=O)c3cc(C)c(C)c(C)c3C)c(C(=O)O)cc2C(=O)O)c(C)c(C)c1C
InChIInChI=1S/C30H30O6/c1-13-9-21(19(7)17(5)15(13)3)27(31)23-11-24(26(30(35)36)12-25(23)29(33)34)28(32)22-10-14(2)16(4)18(6)20(22)8/h9-12H,1-8H3,(H,33,34)(H,35,36)
InChIKeyHXAAZZZJAKZUER-UHFFFAOYSA-N
MW486.56 g/mol
LogP6.01
Rot. Bonds6

About 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid

4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid (PubChem CID 23586555) has the molecular formula C30H30O6 and a molecular weight of 486.56 g/mol. Its IUPAC name is 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid
PubChem CID23586555
Molecular FormulaC30H30O6
Molecular Weight486.56 g/mol
Exact Mass486.20
IUPAC Name4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid
SMILESCc1cc(C(=O)c2cc(C(=O)c3cc(C)c(C)c(C)c3C)c(C(=O)O)cc2C(=O)O)c(C)c(C)c1C
InChIInChI=1S/C30H30O6/c1-13-9-21(19(7)17(5)15(13)3)27(31)23-11-24(26(30(35)36)12-25(23)29(33)34)28(32)22-10-14(2)16(4)18(6)20(22)8/h9-12H,1-8H3,(H,33,34)(H,35,36)
InChIKeyHXAAZZZJAKZUER-UHFFFAOYSA-N
XLogP6.01
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.56
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone
CID 88611707
3-fluoro-2,4,5-trimethylbenzoic acid
CID 21472508
2-amino-3,4,5-trimethylbenzoic acid
CID 22633906
2,3-dimethylterephthalic acid
CID 158313107
sodium 2,3,4,5-tetramethylbenzoate
CID 139724708
4,6-bis[(2,3,4,5-tetramethylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 23586556
4-[2-(4-carboxy-2,3-dimethylbenzoyl)benzoyl]-2,3-dimethylbenzoic acid
CID 141342382
benzene-1,2,4,5-tetracarboxylic acid;lanthanum
CID 157172767
diphenylmethanone;2-hydroxy-2-phenyl-1-(2,3,4,5-tetramethylphenyl)ethanone
CID 175015307
CID 162313209
CID 162313209
1-phenyl-2-(2,3,4,5-tetramethylphenyl)ethane-1,2-dithione
CID 18994072
3-hydroxy-2,5-dimethylterephthalic acid
CID 169085386

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid (CID 23586555) is 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid is Cc1cc(C(=O)c2cc(C(=O)c3cc(C)c(C)c(C)c3C)c(C(=O)O)cc2C(=O)O)c(C)c(C)c1C.
What is the InChIKey of 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid?
The InChIKey is HXAAZZZJAKZUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O6/c1-13-9-21(19(7)17(5)15(13)3)27(31)23-11-24(26(30(35)36)12-25(23)29(33)34)28(32)22-10-14(2)16(4)18(6)20(22)8/h9-12H,1-8H3,(H,33,34)(H,35,36).
What are the key properties of 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid?
4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid has a molecular weight of 486.56 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 23586555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).