dichloroiron;diphenyl(propyl)phosphane

C15H17Cl2FeP — CID 175149268

IUPACdichloroiron;diphenyl(propyl)phosphane
SMILESCCCP(c1ccccc1)c1ccccc1.Cl[Fe]Cl
InChIInChI=1S/C15H17P.2ClH.Fe/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;;/h3-12H,2,13H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyTWPWLBXAEVRUJT-UHFFFAOYSA-L
MW355.03 g/mol
LogP4.91
Rot. Bonds4

About dichloroiron;diphenyl(propyl)phosphane

dichloroiron;diphenyl(propyl)phosphane (PubChem CID 175149268) has the molecular formula C15H17Cl2FeP and a molecular weight of 355.03 g/mol. Its IUPAC name is dichloroiron;diphenyl(propyl)phosphane.

Molecular Properties

Compound Namedichloroiron;diphenyl(propyl)phosphane
PubChem CID175149268
Molecular FormulaC15H17Cl2FeP
Molecular Weight355.03 g/mol
Exact Mass353.98
IUPAC Namedichloroiron;diphenyl(propyl)phosphane
SMILESCCCP(c1ccccc1)c1ccccc1.Cl[Fe]Cl
InChIInChI=1S/C15H17P.2ClH.Fe/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;;/h3-12H,2,13H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyTWPWLBXAEVRUJT-UHFFFAOYSA-L
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.03
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichloronickel;bis(diphenyl(propyl)phosphane)
CID 87129784
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
ethyl(diphenyl)phosphane;trichlororuthenium
CID 159343437
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
butyl(2-diphenylphosphanylethyl)azanium chloride
CID 11427235
2-dipropoxysilylethyl(diphenyl)phosphane
CID 123453967
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
CID 13086823
CID 13086823

Frequently Asked Questions

What is the IUPAC name of dichloroiron;diphenyl(propyl)phosphane?
The IUPAC name of dichloroiron;diphenyl(propyl)phosphane (CID 175149268) is dichloroiron;diphenyl(propyl)phosphane.
What is the SMILES notation for dichloroiron;diphenyl(propyl)phosphane?
The canonical SMILES for dichloroiron;diphenyl(propyl)phosphane is CCCP(c1ccccc1)c1ccccc1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;diphenyl(propyl)phosphane?
The InChIKey is TWPWLBXAEVRUJT-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H17P.2ClH.Fe/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;;/h3-12H,2,13H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroiron;diphenyl(propyl)phosphane?
dichloroiron;diphenyl(propyl)phosphane has a molecular weight of 355.03 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;diphenyl(propyl)phosphane is sourced from PubChem (CID 175149268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).