(4-ethenylphenyl)methylphosphanium;methanol;chloride

C10H16ClOP — CID 68927835

IUPAC(4-ethenylphenyl)methylphosphanium;methanol;chloride
SMILESC=Cc1ccc(C[PH3+])cc1.CO.[Cl-]
InChIInChI=1S/C9H11P.CH4O.ClH/c1-2-8-3-5-9(7-10)6-4-8;1-2;/h2-6H,1,7,10H2;2H,1H3;1H
InChIKeyRFLHPVDLBZSCJW-UHFFFAOYSA-N
MW218.66 g/mol
LogP-0.95
Rot. Bonds2

About (4-ethenylphenyl)methylphosphanium;methanol;chloride

(4-ethenylphenyl)methylphosphanium;methanol;chloride (PubChem CID 68927835) has the molecular formula C10H16ClOP and a molecular weight of 218.66 g/mol. Its IUPAC name is (4-ethenylphenyl)methylphosphanium;methanol;chloride.

Molecular Properties

Compound Name(4-ethenylphenyl)methylphosphanium;methanol;chloride
PubChem CID68927835
Molecular FormulaC10H16ClOP
Molecular Weight218.66 g/mol
Exact Mass218.06
IUPAC Name(4-ethenylphenyl)methylphosphanium;methanol;chloride
SMILESC=Cc1ccc(C[PH3+])cc1.CO.[Cl-]
InChIInChI=1S/C9H11P.CH4O.ClH/c1-2-8-3-5-9(7-10)6-4-8;1-2;/h2-6H,1,7,10H2;2H,1H3;1H
InChIKeyRFLHPVDLBZSCJW-UHFFFAOYSA-N
XLogP-0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methylphosphanium;methanol;chloride?
The IUPAC name of (4-ethenylphenyl)methylphosphanium;methanol;chloride (CID 68927835) is (4-ethenylphenyl)methylphosphanium;methanol;chloride.
What is the SMILES notation for (4-ethenylphenyl)methylphosphanium;methanol;chloride?
The canonical SMILES for (4-ethenylphenyl)methylphosphanium;methanol;chloride is C=Cc1ccc(C[PH3+])cc1.CO.[Cl-].
What is the InChIKey of (4-ethenylphenyl)methylphosphanium;methanol;chloride?
The InChIKey is RFLHPVDLBZSCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11P.CH4O.ClH/c1-2-8-3-5-9(7-10)6-4-8;1-2;/h2-6H,1,7,10H2;2H,1H3;1H.
What are the key properties of (4-ethenylphenyl)methylphosphanium;methanol;chloride?
(4-ethenylphenyl)methylphosphanium;methanol;chloride has a molecular weight of 218.66 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methylphosphanium;methanol;chloride is sourced from PubChem (CID 68927835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).