triphenyl(propan-2-yl)phosphanium hydroxide

C21H23OP — CID 18356098

IUPACtriphenyl(propan-2-yl)phosphanium hydroxide
SMILESCC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[OH-]
InChIInChI=1S/C21H22P.H2O/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H2/q+1;/p-1
InChIKeyPFZHAXLQIIRPRS-UHFFFAOYSA-M
MW322.39 g/mol
LogP4.21
Rot. Bonds4

About triphenyl(propan-2-yl)phosphanium hydroxide

triphenyl(propan-2-yl)phosphanium hydroxide (PubChem CID 18356098) has the molecular formula C21H23OP and a molecular weight of 322.39 g/mol. Its IUPAC name is triphenyl(propan-2-yl)phosphanium hydroxide.

Molecular Properties

Compound Nametriphenyl(propan-2-yl)phosphanium hydroxide
PubChem CID18356098
Molecular FormulaC21H23OP
Molecular Weight322.39 g/mol
Exact Mass322.15
IUPAC Nametriphenyl(propan-2-yl)phosphanium hydroxide
SMILESCC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[OH-]
InChIInChI=1S/C21H22P.H2O/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H2/q+1;/p-1
InChIKeyPFZHAXLQIIRPRS-UHFFFAOYSA-M
XLogP4.21
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
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 triphenyl(propan-2-yl)phosphanium hydroxide?
The IUPAC name of triphenyl(propan-2-yl)phosphanium hydroxide (CID 18356098) is triphenyl(propan-2-yl)phosphanium hydroxide.
What is the SMILES notation for triphenyl(propan-2-yl)phosphanium hydroxide?
The canonical SMILES for triphenyl(propan-2-yl)phosphanium hydroxide is CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[OH-].
What is the InChIKey of triphenyl(propan-2-yl)phosphanium hydroxide?
The InChIKey is PFZHAXLQIIRPRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H22P.H2O/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H2/q+1;/p-1.
What are the key properties of triphenyl(propan-2-yl)phosphanium hydroxide?
triphenyl(propan-2-yl)phosphanium hydroxide has a molecular weight of 322.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(propan-2-yl)phosphanium hydroxide is sourced from PubChem (CID 18356098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).