(2-bromophenyl)-dicyclohexylphosphane

C18H26BrP — CID 11473647

IUPAC(2-bromophenyl)-dicyclohexylphosphane
SMILESBrc1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H26BrP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKeyQFPIIICNJHDAKC-UHFFFAOYSA-N
MW353.28 g/mol
LogP6.22
Rot. Bonds3

About (2-bromophenyl)-dicyclohexylphosphane

(2-bromophenyl)-dicyclohexylphosphane (PubChem CID 11473647) has the molecular formula C18H26BrP and a molecular weight of 353.28 g/mol. Its IUPAC name is (2-bromophenyl)-dicyclohexylphosphane.

Molecular Properties

Compound Name(2-bromophenyl)-dicyclohexylphosphane
PubChem CID11473647
Molecular FormulaC18H26BrP
Molecular Weight353.28 g/mol
Exact Mass352.10
IUPAC Name(2-bromophenyl)-dicyclohexylphosphane
SMILESBrc1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H26BrP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKeyQFPIIICNJHDAKC-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'}

Analyze (2-bromophenyl)-dicyclohexylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-dicyclohexylphosphane?
The IUPAC name of (2-bromophenyl)-dicyclohexylphosphane (CID 11473647) is (2-bromophenyl)-dicyclohexylphosphane.
What is the SMILES notation for (2-bromophenyl)-dicyclohexylphosphane?
The canonical SMILES for (2-bromophenyl)-dicyclohexylphosphane is Brc1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2-bromophenyl)-dicyclohexylphosphane?
The InChIKey is QFPIIICNJHDAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2.
What are the key properties of (2-bromophenyl)-dicyclohexylphosphane?
(2-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 (2-bromophenyl)-dicyclohexylphosphane is sourced from PubChem (CID 11473647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).