benzylphosphanium chloride

C7H10ClP — CID 70121985

IUPACbenzylphosphanium chloride
SMILES[Cl-].[PH3+]Cc1ccccc1
InChIInChI=1S/C7H9P.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
InChIKeyPDPWRESELRSVAE-UHFFFAOYSA-N
MW160.58 g/mol
LogP-1.20
Rot. Bonds1

About benzylphosphanium chloride

benzylphosphanium chloride (PubChem CID 70121985) has the molecular formula C7H10ClP and a molecular weight of 160.58 g/mol. Its IUPAC name is benzylphosphanium chloride.

Molecular Properties

Compound Namebenzylphosphanium chloride
PubChem CID70121985
Molecular FormulaC7H10ClP
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Namebenzylphosphanium chloride
SMILES[Cl-].[PH3+]Cc1ccccc1
InChIInChI=1S/C7H9P.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
InChIKeyPDPWRESELRSVAE-UHFFFAOYSA-N
XLogP-1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 5-1.20
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

benzylphosphanium;bis(palladium(2+))
CID 175706897
benzene;2-phenylethylbenzene
CID 18982764
hafnium;2-phenylethylbenzene
CID 173109801
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
phenyl(113C)methylbenzene
CID 11194569
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
ethane;methane;2-phenylethylbenzene
CID 158652330
CID 159131095
CID 159131095
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491

Frequently Asked Questions

What is the IUPAC name of benzylphosphanium chloride?
The IUPAC name of benzylphosphanium chloride (CID 70121985) is benzylphosphanium chloride.
What is the SMILES notation for benzylphosphanium chloride?
The canonical SMILES for benzylphosphanium chloride is [Cl-].[PH3+]Cc1ccccc1.
What is the InChIKey of benzylphosphanium chloride?
The InChIKey is PDPWRESELRSVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9P.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H.
What are the key properties of benzylphosphanium chloride?
benzylphosphanium chloride has a molecular weight of 160.58 g/mol, XLogP of -1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylphosphanium chloride is sourced from PubChem (CID 70121985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).