2-[(E)-2-phenylethenyl]benzoic acid

C15H12O2 — CID 826316

IUPAC2-[(E)-2-phenylethenyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C15H12O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)/b11-10+
InChIKeyMGJDPQKVELOHMT-ZHACJKMWSA-N
MW224.26 g/mol
LogP3.56
Rot. Bonds3

About 2-[(E)-2-phenylethenyl]benzoic acid

2-[(E)-2-phenylethenyl]benzoic acid (PubChem CID 826316) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]benzoic acid
PubChem CID826316
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name2-[(E)-2-phenylethenyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C15H12O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)/b11-10+
InChIKeyMGJDPQKVELOHMT-ZHACJKMWSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]benzoic acid?
The IUPAC name of 2-[(E)-2-phenylethenyl]benzoic acid (CID 826316) is 2-[(E)-2-phenylethenyl]benzoic acid.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]benzoic acid?
The canonical SMILES for 2-[(E)-2-phenylethenyl]benzoic acid is O=C(O)c1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]benzoic acid?
The InChIKey is MGJDPQKVELOHMT-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H12O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]benzoic acid?
2-[(E)-2-phenylethenyl]benzoic acid has a molecular weight of 224.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]benzoic acid is sourced from PubChem (CID 826316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).