4-[4-(4-methylbenzoyl)benzoyl]benzoic acid

C22H16O4 — CID 10450174

IUPAC4-[4-(4-methylbenzoyl)benzoyl]benzoic acid
SMILESCc1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C22H16O4/c1-14-2-4-15(5-3-14)20(23)16-6-8-17(9-7-16)21(24)18-10-12-19(13-11-18)22(25)26/h2-13H,1H3,(H,25,26)
InChIKeyGUKYQGILZRXNTA-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.16
Rot. Bonds5

About 4-[4-(4-methylbenzoyl)benzoyl]benzoic acid

4-[4-(4-methylbenzoyl)benzoyl]benzoic acid (PubChem CID 10450174) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[4-(4-methylbenzoyl)benzoyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(4-methylbenzoyl)benzoyl]benzoic acid
PubChem CID10450174
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name4-[4-(4-methylbenzoyl)benzoyl]benzoic acid
SMILESCc1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C22H16O4/c1-14-2-4-15(5-3-14)20(23)16-6-8-17(9-7-16)21(24)18-10-12-19(13-11-18)22(25)26/h2-13H,1H3,(H,25,26)
InChIKeyGUKYQGILZRXNTA-UHFFFAOYSA-N
XLogP4.16
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylbenzoyl)benzoyl]benzoic acid?
The IUPAC name of 4-[4-(4-methylbenzoyl)benzoyl]benzoic acid (CID 10450174) is 4-[4-(4-methylbenzoyl)benzoyl]benzoic acid.
What is the SMILES notation for 4-[4-(4-methylbenzoyl)benzoyl]benzoic acid?
The canonical SMILES for 4-[4-(4-methylbenzoyl)benzoyl]benzoic acid is Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-methylbenzoyl)benzoyl]benzoic acid?
The InChIKey is GUKYQGILZRXNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-14-2-4-15(5-3-14)20(23)16-6-8-17(9-7-16)21(24)18-10-12-19(13-11-18)22(25)26/h2-13H,1H3,(H,25,26).
What are the key properties of 4-[4-(4-methylbenzoyl)benzoyl]benzoic acid?
4-[4-(4-methylbenzoyl)benzoyl]benzoic acid has a molecular weight of 344.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylbenzoyl)benzoyl]benzoic acid is sourced from PubChem (CID 10450174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).