benzyl-(4-chlorophenyl)phosphane

C13H12ClP — CID 174672119

IUPACbenzyl-(4-chlorophenyl)phosphane
SMILESClc1ccc(PCc2ccccc2)cc1
InChIInChI=1S/C13H12ClP/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyHVPXRFOETFNDLE-UHFFFAOYSA-N
MW234.67 g/mol
LogP3.84
Rot. Bonds3

About benzyl-(4-chlorophenyl)phosphane

benzyl-(4-chlorophenyl)phosphane (PubChem CID 174672119) has the molecular formula C13H12ClP and a molecular weight of 234.67 g/mol. Its IUPAC name is benzyl-(4-chlorophenyl)phosphane.

Molecular Properties

Compound Namebenzyl-(4-chlorophenyl)phosphane
PubChem CID174672119
Molecular FormulaC13H12ClP
Molecular Weight234.67 g/mol
Exact Mass234.04
IUPAC Namebenzyl-(4-chlorophenyl)phosphane
SMILESClc1ccc(PCc2ccccc2)cc1
InChIInChI=1S/C13H12ClP/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyHVPXRFOETFNDLE-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.67
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 16688772
CID 16688772
bis(4-chlorophenol);phenylmethanamine
CID 70600603
benzene;chlorobenzene
CID 159657667
4-(2-phenylethylphosphanyl)phenol
CID 150809826
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
dibenzylphosphane;dichloropalladium;iron
CID 175421124
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973
N-benzyl-4-chloroaniline chloride
CID 45109713
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
1-(4-chlorophenyl)-2-phenylethanethione
CID 87616376

Frequently Asked Questions

What is the IUPAC name of benzyl-(4-chlorophenyl)phosphane?
The IUPAC name of benzyl-(4-chlorophenyl)phosphane (CID 174672119) is benzyl-(4-chlorophenyl)phosphane.
What is the SMILES notation for benzyl-(4-chlorophenyl)phosphane?
The canonical SMILES for benzyl-(4-chlorophenyl)phosphane is Clc1ccc(PCc2ccccc2)cc1.
What is the InChIKey of benzyl-(4-chlorophenyl)phosphane?
The InChIKey is HVPXRFOETFNDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClP/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of benzyl-(4-chlorophenyl)phosphane?
benzyl-(4-chlorophenyl)phosphane has a molecular weight of 234.67 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(4-chlorophenyl)phosphane is sourced from PubChem (CID 174672119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).