2-[2-(2-bromophenyl)ethenyl]benzoic acid

C15H11BrO2 — CID 54475842

IUPAC2-[2-(2-bromophenyl)ethenyl]benzoic acid
SMILESO=C(O)c1ccccc1C=Cc1ccccc1Br
InChIInChI=1S/C15H11BrO2/c16-14-8-4-2-6-12(14)10-9-11-5-1-3-7-13(11)15(17)18/h1-10H,(H,17,18)
InChIKeyXLNBIRKAXKEZDT-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.32
Rot. Bonds3

About 2-[2-(2-bromophenyl)ethenyl]benzoic acid

2-[2-(2-bromophenyl)ethenyl]benzoic acid (PubChem CID 54475842) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)ethenyl]benzoic acid
PubChem CID54475842
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name2-[2-(2-bromophenyl)ethenyl]benzoic acid
SMILESO=C(O)c1ccccc1C=Cc1ccccc1Br
InChIInChI=1S/C15H11BrO2/c16-14-8-4-2-6-12(14)10-9-11-5-1-3-7-13(11)15(17)18/h1-10H,(H,17,18)
InChIKeyXLNBIRKAXKEZDT-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid
CID 11763161
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
CID 14690852
(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321
2-[3-(2-bromophenyl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 77003733
2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
CID 46868614
2-[(1E)-buta-1,3-dienyl]benzoic acid
CID 20520746
2-but-1-enylbenzoic acid
CID 66860810
2-[(E)-3,3,3-trifluoroprop-1-enyl]benzoic acid
CID 125476108
2-[3-oxo-3-(3-phenylprop-2-enoyloxy)prop-1-enyl]benzoic acid
CID 173274386
2-(2-bromophenyl)ethenol
CID 174465941
2-ethenylbenzoic acid;europium
CID 174925184
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
CID 69303300

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)ethenyl]benzoic acid?
The IUPAC name of 2-[2-(2-bromophenyl)ethenyl]benzoic acid (CID 54475842) is 2-[2-(2-bromophenyl)ethenyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-bromophenyl)ethenyl]benzoic acid?
The canonical SMILES for 2-[2-(2-bromophenyl)ethenyl]benzoic acid is O=C(O)c1ccccc1C=Cc1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenyl)ethenyl]benzoic acid?
The InChIKey is XLNBIRKAXKEZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-14-8-4-2-6-12(14)10-9-11-5-1-3-7-13(11)15(17)18/h1-10H,(H,17,18).
What are the key properties of 2-[2-(2-bromophenyl)ethenyl]benzoic acid?
2-[2-(2-bromophenyl)ethenyl]benzoic acid has a molecular weight of 303.16 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)ethenyl]benzoic acid is sourced from PubChem (CID 54475842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).