5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid

C17H12O8 — CID 175443870

IUPAC5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
SMILESCc1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C17H12O8/c1-7-9(8-5-3-2-4-6-8)11(15(20)21)13(17(24)25)12(16(22)23)10(7)14(18)19/h2-6H,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyZOBVJSYORWHRKC-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.45
Rot. Bonds5

About 5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid

5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid (PubChem CID 175443870) has the molecular formula C17H12O8 and a molecular weight of 344.28 g/mol. Its IUPAC name is 5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
PubChem CID175443870
Molecular FormulaC17H12O8
Molecular Weight344.28 g/mol
Exact Mass344.05
IUPAC Name5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
SMILESCc1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C17H12O8/c1-7-9(8-5-3-2-4-6-8)11(15(20)21)13(17(24)25)12(16(22)23)10(7)14(18)19/h2-6H,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyZOBVJSYORWHRKC-UHFFFAOYSA-N
XLogP2.45
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6-triphenylbenzene-1,2,3-tricarboxylic acid
CID 22165122
2-(chloromethyl)-4,5-dimethyl-6-phenylbenzene-1,3-dicarboxylic acid
CID 150971689
2-methyl-3,4-diphenylbenzoic acid
CID 118554966
2,4,6-trimethyl-3,5-diphenylbenzohydrazide
CID 150299746
4-methyl-2-(4-phenylphenyl)benzene-1,3-dicarboxylic acid
CID 150641904
3-[2-[4-[2-(2,3-dicarboxy-4,5,6-triphenylphenyl)phenyl]phenyl]phenyl]-4,5,6-triphenylphthalic acid
CID 175738927
2-chloro-6-(2,3,4,5-tetramethyl-6-phenylphenyl)benzoic acid
CID 175136983
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520
2,3-dimethylazulene-1-carboxylic acid
CID 54352550
4,5-diphenylbenzene-1,2,3-tricarboxylic acid
CID 91377985
3,5-dimethyl-4-phenyl-1H-pyrrole-2-carboxylic acid
CID 83640199
1-amino-4-methyl-9,10-dioxoanthracene-2,3-dicarboxylic acid
CID 23132582

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid (CID 175443870) is 5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid is Cc1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1-c1ccccc1.
What is the InChIKey of 5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid?
The InChIKey is ZOBVJSYORWHRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O8/c1-7-9(8-5-3-2-4-6-8)11(15(20)21)13(17(24)25)12(16(22)23)10(7)14(18)19/h2-6H,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid?
5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid has a molecular weight of 344.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 175443870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).