2-benzoyl-3-benzyl-4-ethenylbenzoic acid

C23H18O3 — CID 68789435

IUPAC2-benzoyl-3-benzyl-4-ethenylbenzoic acid
SMILESC=Cc1ccc(C(=O)O)c(C(=O)c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C23H18O3/c1-2-17-13-14-19(23(25)26)21(22(24)18-11-7-4-8-12-18)20(17)15-16-9-5-3-6-10-16/h2-14H,1,15H2,(H,25,26)
InChIKeyVULXZZTVMUMFGN-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.85
Rot. Bonds6

About 2-benzoyl-3-benzyl-4-ethenylbenzoic acid

2-benzoyl-3-benzyl-4-ethenylbenzoic acid (PubChem CID 68789435) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-benzoyl-3-benzyl-4-ethenylbenzoic acid.

Molecular Properties

Compound Name2-benzoyl-3-benzyl-4-ethenylbenzoic acid
PubChem CID68789435
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name2-benzoyl-3-benzyl-4-ethenylbenzoic acid
SMILESC=Cc1ccc(C(=O)O)c(C(=O)c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C23H18O3/c1-2-17-13-14-19(23(25)26)21(22(24)18-11-7-4-8-12-18)20(17)15-16-9-5-3-6-10-16/h2-14H,1,15H2,(H,25,26)
InChIKeyVULXZZTVMUMFGN-UHFFFAOYSA-N
XLogP4.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-benzyl-4-ethenylbenzoic acid?
The IUPAC name of 2-benzoyl-3-benzyl-4-ethenylbenzoic acid (CID 68789435) is 2-benzoyl-3-benzyl-4-ethenylbenzoic acid.
What is the SMILES notation for 2-benzoyl-3-benzyl-4-ethenylbenzoic acid?
The canonical SMILES for 2-benzoyl-3-benzyl-4-ethenylbenzoic acid is C=Cc1ccc(C(=O)O)c(C(=O)c2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 2-benzoyl-3-benzyl-4-ethenylbenzoic acid?
The InChIKey is VULXZZTVMUMFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-2-17-13-14-19(23(25)26)21(22(24)18-11-7-4-8-12-18)20(17)15-16-9-5-3-6-10-16/h2-14H,1,15H2,(H,25,26).
What are the key properties of 2-benzoyl-3-benzyl-4-ethenylbenzoic acid?
2-benzoyl-3-benzyl-4-ethenylbenzoic acid has a molecular weight of 342.39 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-benzyl-4-ethenylbenzoic acid is sourced from PubChem (CID 68789435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).