(4-bromophenyl)-dicyclohexylphosphane

C18H26BrP — CID 101255950

IUPAC(4-bromophenyl)-dicyclohexylphosphane
SMILESBrc1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C18H26BrP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10H2
InChIKeyLVINKWZESYZEJV-UHFFFAOYSA-N
MW353.28 g/mol
LogP6.22
Rot. Bonds3

About (4-bromophenyl)-dicyclohexylphosphane

(4-bromophenyl)-dicyclohexylphosphane (PubChem CID 101255950) has the molecular formula C18H26BrP and a molecular weight of 353.28 g/mol. Its IUPAC name is (4-bromophenyl)-dicyclohexylphosphane.

Molecular Properties

Compound Name(4-bromophenyl)-dicyclohexylphosphane
PubChem CID101255950
Molecular FormulaC18H26BrP
Molecular Weight353.28 g/mol
Exact Mass352.10
IUPAC Name(4-bromophenyl)-dicyclohexylphosphane
SMILESBrc1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C18H26BrP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10H2
InChIKeyLVINKWZESYZEJV-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.28
LogP ≤ 56.22
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 (4-bromophenyl)-dicyclohexylphosphane?
The IUPAC name of (4-bromophenyl)-dicyclohexylphosphane (CID 101255950) is (4-bromophenyl)-dicyclohexylphosphane.
What is the SMILES notation for (4-bromophenyl)-dicyclohexylphosphane?
The canonical SMILES for (4-bromophenyl)-dicyclohexylphosphane is Brc1ccc(P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of (4-bromophenyl)-dicyclohexylphosphane?
The InChIKey is LVINKWZESYZEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10H2.
What are the key properties of (4-bromophenyl)-dicyclohexylphosphane?
(4-bromophenyl)-dicyclohexylphosphane has a molecular weight of 353.28 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-dicyclohexylphosphane is sourced from PubChem (CID 101255950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).