1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium

C11H13ClP+ — CID 23279875

IUPAC1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium
SMILESCC1=C[P+](Cl)(c2ccccc2)CC1
InChIInChI=1S/C11H13ClP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3/q+1
InChIKeyWVUMURARPJRLAR-UHFFFAOYSA-N
MW211.65 g/mol
LogP3.79
Rot. Bonds1

About 1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium

1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium (PubChem CID 23279875) has the molecular formula C11H13ClP+ and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium.

Molecular Properties

Compound Name1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium
PubChem CID23279875
Molecular FormulaC11H13ClP+
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium
SMILESCC1=C[P+](Cl)(c2ccccc2)CC1
InChIInChI=1S/C11H13ClP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3/q+1
InChIKeyWVUMURARPJRLAR-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 53.79
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

1-hydroxy-1-phenylphospholan-1-ium
CID 173085633
3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium
CID 10935558
chloromethane;toluene;dihydrochloride
CID 174689155
toluene;tetrahydrochloride
CID 174345064
toluene;dihydrochloride
CID 66712893
2-methyl-1,1,3,3-tetraphenyltriphosphepane-1,3-diium
CID 23421390
2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium
CID 23415328
1,3-dimethyl-1-phenylphospholan-1-ium
CID 4220919
germane;toluene;dihydrochloride
CID 174718669
silane;toluene;trihydrochloride
CID 173426861
ruthenium;toluene;trihydrochloride
CID 174723656
chloromethane;toluene
CID 178022822

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium?
The IUPAC name of 1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium (CID 23279875) is 1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium.
What is the SMILES notation for 1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium?
The canonical SMILES for 1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium is CC1=C[P+](Cl)(c2ccccc2)CC1.
What is the InChIKey of 1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium?
The InChIKey is WVUMURARPJRLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3/q+1.
What are the key properties of 1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium?
1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium has a molecular weight of 211.65 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium is sourced from PubChem (CID 23279875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).