2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid

C24H20O3 — CID 69118305

IUPAC2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid
SMILESC=Cc1ccc(C(=O)O)c(C(=O)c2ccccc2)c1CCc1ccccc1
InChIInChI=1S/C24H20O3/c1-2-18-14-16-21(24(26)27)22(23(25)19-11-7-4-8-12-19)20(18)15-13-17-9-5-3-6-10-17/h2-12,14,16H,1,13,15H2,(H,26,27)
InChIKeyNQPWHUIWMIWGPG-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.04
Rot. Bonds7

About 2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid

2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid (PubChem CID 69118305) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid
PubChem CID69118305
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid
SMILESC=Cc1ccc(C(=O)O)c(C(=O)c2ccccc2)c1CCc1ccccc1
InChIInChI=1S/C24H20O3/c1-2-18-14-16-21(24(26)27)22(23(25)19-11-7-4-8-12-19)20(18)15-13-17-9-5-3-6-10-17/h2-12,14,16H,1,13,15H2,(H,26,27)
InChIKeyNQPWHUIWMIWGPG-UHFFFAOYSA-N
XLogP5.04
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzoyl-3-benzyl-4-ethenylbenzoic acid
CID 68789435
3-benzyl-4-ethenylbenzene-1,2-dicarboxamide
CID 174922883
3,4-dibenzoylphthalic acid
CID 22269446
4-amino-2-(2-phenylethyl)benzoic acid
CID 66690543
benzoic acid;2-ethenylbenzoic acid
CID 158841861
3-ethenyl-2-ethylbenzoic acid
CID 70289721
4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 130282207
2-ethenylbenzoic acid;europium
CID 174925184
3-benzylbenzene-1,2,4-tricarboxylic acid
CID 175791914
3-benzyl-4-prop-2-enylphthalic acid
CID 66633539
3-[3-carboxy-6-hydroxy-2-(2-phenylethyl)phenyl]sulfanyl-4-hydroxy-2-(2-phenylethyl)benzoic acid
CID 70358740
calcium;2-ethenylbenzoic acid;hydride
CID 174462542

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid?
The IUPAC name of 2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid (CID 69118305) is 2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid.
What is the SMILES notation for 2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid?
The canonical SMILES for 2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid is C=Cc1ccc(C(=O)O)c(C(=O)c2ccccc2)c1CCc1ccccc1.
What is the InChIKey of 2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid?
The InChIKey is NQPWHUIWMIWGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-2-18-14-16-21(24(26)27)22(23(25)19-11-7-4-8-12-19)20(18)15-13-17-9-5-3-6-10-17/h2-12,14,16H,1,13,15H2,(H,26,27).
What are the key properties of 2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid?
2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid has a molecular weight of 356.42 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid is sourced from PubChem (CID 69118305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).