(3-ethenylphenyl)methylphosphanium chloride

C9H12ClP — CID 159346927

IUPAC(3-ethenylphenyl)methylphosphanium chloride
SMILESC=Cc1cccc(C[PH3+])c1.[Cl-]
InChIInChI=1S/C9H11P.ClH/c1-2-8-4-3-5-9(6-8)7-10;/h2-6H,1,7,10H2;1H
InChIKeyLGVKXJKNEHOUNH-UHFFFAOYSA-N
MW186.62 g/mol
LogP-0.56
Rot. Bonds2

About (3-ethenylphenyl)methylphosphanium chloride

(3-ethenylphenyl)methylphosphanium chloride (PubChem CID 159346927) has the molecular formula C9H12ClP and a molecular weight of 186.62 g/mol. Its IUPAC name is (3-ethenylphenyl)methylphosphanium chloride.

Molecular Properties

Compound Name(3-ethenylphenyl)methylphosphanium chloride
PubChem CID159346927
Molecular FormulaC9H12ClP
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name(3-ethenylphenyl)methylphosphanium chloride
SMILESC=Cc1cccc(C[PH3+])c1.[Cl-]
InChIInChI=1S/C9H11P.ClH/c1-2-8-4-3-5-9(6-8)7-10;/h2-6H,1,7,10H2;1H
InChIKeyLGVKXJKNEHOUNH-UHFFFAOYSA-N
XLogP-0.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-ethenylphenyl)methylphosphanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
CID 175399717
1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene
CID 91200175
O-[(3-ethenylphenyl)methyl]hydroxylamine
CID 100921787
1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene
CID 159641511
1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium
CID 135291635
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616
N,N'-bis[(3-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235570
2-(3-ethenylphenyl)-N,N-bis(trimethylsilyl)ethanamine
CID 22600308
2-[2-(3-ethenylphenyl)ethyl]oxirane
CID 54340716
N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine
CID 66742904
1,3-bis(ethenyl)benzene;platinum;hexahydrochloride
CID 175502891
2,4,6,8-tetrakis[(3-ethenylphenyl)methyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 23504533

Frequently Asked Questions

What is the IUPAC name of (3-ethenylphenyl)methylphosphanium chloride?
The IUPAC name of (3-ethenylphenyl)methylphosphanium chloride (CID 159346927) is (3-ethenylphenyl)methylphosphanium chloride.
What is the SMILES notation for (3-ethenylphenyl)methylphosphanium chloride?
The canonical SMILES for (3-ethenylphenyl)methylphosphanium chloride is C=Cc1cccc(C[PH3+])c1.[Cl-].
What is the InChIKey of (3-ethenylphenyl)methylphosphanium chloride?
The InChIKey is LGVKXJKNEHOUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11P.ClH/c1-2-8-4-3-5-9(6-8)7-10;/h2-6H,1,7,10H2;1H.
What are the key properties of (3-ethenylphenyl)methylphosphanium chloride?
(3-ethenylphenyl)methylphosphanium chloride has a molecular weight of 186.62 g/mol, XLogP of -0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylphenyl)methylphosphanium chloride is sourced from PubChem (CID 159346927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).