(3-bromophenyl)-diphenylphosphane

C18H14BrP — CID 11233124

IUPAC(3-bromophenyl)-diphenylphosphane
SMILESBrc1cccc(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C18H14BrP/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
InChIKeyOBWURDWSVVRXLE-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.21
Rot. Bonds3

About (3-bromophenyl)-diphenylphosphane

(3-bromophenyl)-diphenylphosphane (PubChem CID 11233124) has the molecular formula C18H14BrP and a molecular weight of 341.19 g/mol. Its IUPAC name is (3-bromophenyl)-diphenylphosphane.

Molecular Properties

Compound Name(3-bromophenyl)-diphenylphosphane
PubChem CID11233124
Molecular FormulaC18H14BrP
Molecular Weight341.19 g/mol
Exact Mass340.00
IUPAC Name(3-bromophenyl)-diphenylphosphane
SMILESBrc1cccc(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C18H14BrP/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
InChIKeyOBWURDWSVVRXLE-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.21
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 (3-bromophenyl)-diphenylphosphane?
The IUPAC name of (3-bromophenyl)-diphenylphosphane (CID 11233124) is (3-bromophenyl)-diphenylphosphane.
What is the SMILES notation for (3-bromophenyl)-diphenylphosphane?
The canonical SMILES for (3-bromophenyl)-diphenylphosphane is Brc1cccc(P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3-bromophenyl)-diphenylphosphane?
The InChIKey is OBWURDWSVVRXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrP/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H.
What are the key properties of (3-bromophenyl)-diphenylphosphane?
(3-bromophenyl)-diphenylphosphane has a molecular weight of 341.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-diphenylphosphane is sourced from PubChem (CID 11233124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).