(2-bromo-1-phenylethenyl)-diphenylphosphane

C20H16BrP — CID 71353165

IUPAC(2-bromo-1-phenylethenyl)-diphenylphosphane
SMILESBrC=C(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16BrP/c21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeyVLWHSPZCCHINHK-UHFFFAOYSA-N
MW367.23 g/mol
LogP5.51
Rot. Bonds4

About (2-bromo-1-phenylethenyl)-diphenylphosphane

(2-bromo-1-phenylethenyl)-diphenylphosphane (PubChem CID 71353165) has the molecular formula C20H16BrP and a molecular weight of 367.23 g/mol. Its IUPAC name is (2-bromo-1-phenylethenyl)-diphenylphosphane.

Molecular Properties

Compound Name(2-bromo-1-phenylethenyl)-diphenylphosphane
PubChem CID71353165
Molecular FormulaC20H16BrP
Molecular Weight367.23 g/mol
Exact Mass366.02
IUPAC Name(2-bromo-1-phenylethenyl)-diphenylphosphane
SMILESBrC=C(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16BrP/c21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeyVLWHSPZCCHINHK-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.23
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-phenylethenyl)-diphenylphosphane?
The IUPAC name of (2-bromo-1-phenylethenyl)-diphenylphosphane (CID 71353165) is (2-bromo-1-phenylethenyl)-diphenylphosphane.
What is the SMILES notation for (2-bromo-1-phenylethenyl)-diphenylphosphane?
The canonical SMILES for (2-bromo-1-phenylethenyl)-diphenylphosphane is BrC=C(c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-bromo-1-phenylethenyl)-diphenylphosphane?
The InChIKey is VLWHSPZCCHINHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrP/c21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H.
What are the key properties of (2-bromo-1-phenylethenyl)-diphenylphosphane?
(2-bromo-1-phenylethenyl)-diphenylphosphane has a molecular weight of 367.23 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-phenylethenyl)-diphenylphosphane is sourced from PubChem (CID 71353165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).