chloro-ethyl-triphenyl-λ5-phosphane

C20H20ClP — CID 12903040

IUPACchloro-ethyl-triphenyl-λ5-phosphane
SMILESCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20ClP/c1-2-22(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyNBFRAOSSKWBGMS-UHFFFAOYSA-N
MW326.81 g/mol
LogP4.69
Rot. Bonds4

About chloro-ethyl-triphenyl-λ5-phosphane

chloro-ethyl-triphenyl-λ5-phosphane (PubChem CID 12903040) has the molecular formula C20H20ClP and a molecular weight of 326.81 g/mol. Its IUPAC name is chloro-ethyl-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-ethyl-triphenyl-λ5-phosphane
PubChem CID12903040
Molecular FormulaC20H20ClP
Molecular Weight326.81 g/mol
Exact Mass326.10
IUPAC Namechloro-ethyl-triphenyl-λ5-phosphane
SMILESCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20ClP/c1-2-22(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyNBFRAOSSKWBGMS-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 54.69
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 chloro-ethyl-triphenyl-λ5-phosphane?
The IUPAC name of chloro-ethyl-triphenyl-λ5-phosphane (CID 12903040) is chloro-ethyl-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-ethyl-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-ethyl-triphenyl-λ5-phosphane is CCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-ethyl-triphenyl-λ5-phosphane?
The InChIKey is NBFRAOSSKWBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClP/c1-2-22(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3.
What are the key properties of chloro-ethyl-triphenyl-λ5-phosphane?
chloro-ethyl-triphenyl-λ5-phosphane has a molecular weight of 326.81 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethyl-triphenyl-λ5-phosphane is sourced from PubChem (CID 12903040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).