chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane

C21H20ClP — CID 5377615

IUPACchloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane
SMILESC/C=C/P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20ClP/c1-2-18-23(22,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2-18H,1H3/b18-2+
InChIKeyABASELRRZLKHLL-LPRJTOQXSA-N
MW338.82 g/mol
LogP5.20
Rot. Bonds4

About chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane

chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane (PubChem CID 5377615) has the molecular formula C21H20ClP and a molecular weight of 338.82 g/mol. Its IUPAC name is chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane.

Molecular Properties

Compound Namechloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane
PubChem CID5377615
Molecular FormulaC21H20ClP
Molecular Weight338.82 g/mol
Exact Mass338.10
IUPAC Namechloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane
SMILESC/C=C/P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20ClP/c1-2-18-23(22,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2-18H,1H3/b18-2+
InChIKeyABASELRRZLKHLL-LPRJTOQXSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 55.20
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

chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane
CID 174048595
[(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane
CID 135049691
chloro-ethyl-triphenyl-λ5-phosphane
CID 12903040
chloro-(fluoromethyl)-dimethyl-phenyl-λ5-phosphane
CID 140607648
benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131
CID 71339905
CID 71339905
difluoro-methyl-diphenyl-λ5-phosphane
CID 6421241
ethane;trihydroxy(diphenyl)-λ5-phosphane
CID 159842008
chloromethane;toluene
CID 178022822
[(E)-2-phenylpent-3-en-2-yl]benzene
CID 14338227
benzyl-chloro-triphenyl-lambda5-phosphane
CID 631738
[(Z)-2-methylpent-3-en-2-yl]benzene
CID 154027835

Frequently Asked Questions

What is the IUPAC name of chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane?
The IUPAC name of chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane (CID 5377615) is chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane.
What is the SMILES notation for chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane?
The canonical SMILES for chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane is C/C=C/P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane?
The InChIKey is ABASELRRZLKHLL-LPRJTOQXSA-N. The full InChI is InChI=1S/C21H20ClP/c1-2-18-23(22,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2-18H,1H3/b18-2+.
What are the key properties of chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane?
chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane has a molecular weight of 338.82 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane is sourced from PubChem (CID 5377615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).