1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one

C15H11IO2 — CID 132548899

IUPAC1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one
SMILESO=C1OI(/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C15H11IO2/c17-15-13-8-4-5-9-14(13)16(18-15)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyUYKPMPFZYOBQQR-ZHACJKMWSA-N
MW350.16 g/mol
LogP4.12
Rot. Bonds2

About 1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one

1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one (PubChem CID 132548899) has the molecular formula C15H11IO2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one
PubChem CID132548899
Molecular FormulaC15H11IO2
Molecular Weight350.16 g/mol
Exact Mass349.98
IUPAC Name1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one
SMILESO=C1OI(/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C15H11IO2/c17-15-13-8-4-5-9-14(13)16(18-15)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyUYKPMPFZYOBQQR-ZHACJKMWSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one?
The IUPAC name of 1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one (CID 132548899) is 1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one?
The canonical SMILES for 1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one is O=C1OI(/C=C/c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one?
The InChIKey is UYKPMPFZYOBQQR-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H11IO2/c17-15-13-8-4-5-9-14(13)16(18-15)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+.
What are the key properties of 1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one?
1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one has a molecular weight of 350.16 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one is sourced from PubChem (CID 132548899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).