4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid

C25H18O2 — CID 22400857

IUPAC4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C/c2ccccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H18O2/c26-25(27)21-13-10-18(11-14-21)9-12-20-6-3-4-8-24(20)23-16-15-19-5-1-2-7-22(19)17-23/h1-17H,(H,26,27)/b12-9+
InChIKeyFVAGBPPCTCZULD-FMIVXFBMSA-N
MW350.42 g/mol
LogP6.38
Rot. Bonds4

About 4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid

4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid (PubChem CID 22400857) has the molecular formula C25H18O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid
PubChem CID22400857
Molecular FormulaC25H18O2
Molecular Weight350.42 g/mol
Exact Mass350.13
IUPAC Name4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C/c2ccccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H18O2/c26-25(27)21-13-10-18(11-14-21)9-12-20-6-3-4-8-24(20)23-16-15-19-5-1-2-7-22(19)17-23/h1-17H,(H,26,27)/b12-9+
InChIKeyFVAGBPPCTCZULD-FMIVXFBMSA-N
XLogP6.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 56.38
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 4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid?
The IUPAC name of 4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid (CID 22400857) is 4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid.
What is the SMILES notation for 4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid?
The canonical SMILES for 4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid is O=C(O)c1ccc(/C=C/c2ccccc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid?
The InChIKey is FVAGBPPCTCZULD-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H18O2/c26-25(27)21-13-10-18(11-14-21)9-12-20-6-3-4-8-24(20)23-16-15-19-5-1-2-7-22(19)17-23/h1-17H,(H,26,27)/b12-9+.
What are the key properties of 4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid?
4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid has a molecular weight of 350.42 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid is sourced from PubChem (CID 22400857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).