4-(2-methylbenzoyl)phthalic acid

C16H12O5 — CID 22362607

IUPAC4-(2-methylbenzoyl)phthalic acid
SMILESCc1ccccc1C(=O)c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C16H12O5/c1-9-4-2-3-5-11(9)14(17)10-6-7-12(15(18)19)13(8-10)16(20)21/h2-8H,1H3,(H,18,19)(H,20,21)
InChIKeyCGBLYRWTQYXNME-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.62
Rot. Bonds4

About 4-(2-methylbenzoyl)phthalic acid

4-(2-methylbenzoyl)phthalic acid (PubChem CID 22362607) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-(2-methylbenzoyl)phthalic acid.

Molecular Properties

Compound Name4-(2-methylbenzoyl)phthalic acid
PubChem CID22362607
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name4-(2-methylbenzoyl)phthalic acid
SMILESCc1ccccc1C(=O)c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C16H12O5/c1-9-4-2-3-5-11(9)14(17)10-6-7-12(15(18)19)13(8-10)16(20)21/h2-8H,1H3,(H,18,19)(H,20,21)
InChIKeyCGBLYRWTQYXNME-UHFFFAOYSA-N
XLogP2.62
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-acetylbenzoyl)phthalic acid
CID 71123619
4-methylbenzene-1,3-dicarboxylic acid;phthalic acid
CID 162069170
4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
CID 143439046
2-(4-bromo-3-methylbenzoyl)benzoic acid
CID 123816011
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
4-benzoylphthalic acid;bis(carbon dioxide)
CID 159894307
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493
2-(3-methylbenzoyl)benzoic acid
CID 2801746
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbenzoyl)phthalic acid?
The IUPAC name of 4-(2-methylbenzoyl)phthalic acid (CID 22362607) is 4-(2-methylbenzoyl)phthalic acid.
What is the SMILES notation for 4-(2-methylbenzoyl)phthalic acid?
The canonical SMILES for 4-(2-methylbenzoyl)phthalic acid is Cc1ccccc1C(=O)c1ccc(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of 4-(2-methylbenzoyl)phthalic acid?
The InChIKey is CGBLYRWTQYXNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-9-4-2-3-5-11(9)14(17)10-6-7-12(15(18)19)13(8-10)16(20)21/h2-8H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-(2-methylbenzoyl)phthalic acid?
4-(2-methylbenzoyl)phthalic acid has a molecular weight of 284.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbenzoyl)phthalic acid is sourced from PubChem (CID 22362607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).