1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene

C20H16BrOP — CID 42612687

IUPAC1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene
SMILESO=P(/C=C/c1ccccc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16BrOP/c21-20-14-8-7-9-17(20)15-16-23(22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-16H/b16-15+
InChIKeyVMNXQIDCVIOPDK-FOCLMDBBSA-N
MW383.23 g/mol
LogP5.43
Rot. Bonds4

About 1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene

1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene (PubChem CID 42612687) has the molecular formula C20H16BrOP and a molecular weight of 383.23 g/mol. Its IUPAC name is 1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene
PubChem CID42612687
Molecular FormulaC20H16BrOP
Molecular Weight383.23 g/mol
Exact Mass382.01
IUPAC Name1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene
SMILESO=P(/C=C/c1ccccc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16BrOP/c21-20-14-8-7-9-17(20)15-16-23(22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-16H/b16-15+
InChIKeyVMNXQIDCVIOPDK-FOCLMDBBSA-N
XLogP5.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene?
The IUPAC name of 1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene (CID 42612687) is 1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene.
What is the SMILES notation for 1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene?
The canonical SMILES for 1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene is O=P(/C=C/c1ccccc1Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene?
The InChIKey is VMNXQIDCVIOPDK-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H16BrOP/c21-20-14-8-7-9-17(20)15-16-23(22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-16H/b16-15+.
What are the key properties of 1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene?
1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene has a molecular weight of 383.23 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene is sourced from PubChem (CID 42612687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).