benzyl-chloro-triphenyl-lambda5-phosphane

C25H22ClP — CID 631738

IUPACbenzyl-chloro-triphenyl-lambda5-phosphane
SMILESClP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22ClP/c26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22/h1-20H,21H2
InChIKeyNRCSJPUCBTUPDG-UHFFFAOYSA-N
MW388.88 g/mol
LogP5.87
Rot. Bonds5

About benzyl-chloro-triphenyl-lambda5-phosphane

benzyl-chloro-triphenyl-lambda5-phosphane (PubChem CID 631738) has the molecular formula C25H22ClP and a molecular weight of 388.88 g/mol. Its IUPAC name is benzyl-chloro-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebenzyl-chloro-triphenyl-lambda5-phosphane
PubChem CID631738
Molecular FormulaC25H22ClP
Molecular Weight388.88 g/mol
Exact Mass388.11
IUPAC Namebenzyl-chloro-triphenyl-lambda5-phosphane
SMILESClP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22ClP/c26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22/h1-20H,21H2
InChIKeyNRCSJPUCBTUPDG-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.88
LogP ≤ 55.87
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 benzyl-chloro-triphenyl-lambda5-phosphane?
The IUPAC name of benzyl-chloro-triphenyl-lambda5-phosphane (CID 631738) is benzyl-chloro-triphenyl-lambda5-phosphane.
What is the SMILES notation for benzyl-chloro-triphenyl-lambda5-phosphane?
The canonical SMILES for benzyl-chloro-triphenyl-lambda5-phosphane is ClP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-chloro-triphenyl-lambda5-phosphane?
The InChIKey is NRCSJPUCBTUPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClP/c26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22/h1-20H,21H2.
What are the key properties of benzyl-chloro-triphenyl-lambda5-phosphane?
benzyl-chloro-triphenyl-lambda5-phosphane has a molecular weight of 388.88 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-chloro-triphenyl-lambda5-phosphane is sourced from PubChem (CID 631738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).