hydroxy-tris(4-methylphenyl)phosphanium

C21H22OP+ — CID 57011859

IUPAChydroxy-tris(4-methylphenyl)phosphanium
SMILESCc1ccc([P+](O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H22OP/c1-16-4-10-19(11-5-16)23(22,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15,22H,1-3H3/q+1
InChIKeyFDQZNRPJXPTYNB-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.81
Rot. Bonds3

About hydroxy-tris(4-methylphenyl)phosphanium

hydroxy-tris(4-methylphenyl)phosphanium (PubChem CID 57011859) has the molecular formula C21H22OP+ and a molecular weight of 321.38 g/mol. Its IUPAC name is hydroxy-tris(4-methylphenyl)phosphanium.

Molecular Properties

Compound Namehydroxy-tris(4-methylphenyl)phosphanium
PubChem CID57011859
Molecular FormulaC21H22OP+
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Namehydroxy-tris(4-methylphenyl)phosphanium
SMILESCc1ccc([P+](O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H22OP/c1-16-4-10-19(11-5-16)23(22,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15,22H,1-3H3/q+1
InChIKeyFDQZNRPJXPTYNB-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.81
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 hydroxy-tris(4-methylphenyl)phosphanium?
The IUPAC name of hydroxy-tris(4-methylphenyl)phosphanium (CID 57011859) is hydroxy-tris(4-methylphenyl)phosphanium.
What is the SMILES notation for hydroxy-tris(4-methylphenyl)phosphanium?
The canonical SMILES for hydroxy-tris(4-methylphenyl)phosphanium is Cc1ccc([P+](O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of hydroxy-tris(4-methylphenyl)phosphanium?
The InChIKey is FDQZNRPJXPTYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22OP/c1-16-4-10-19(11-5-16)23(22,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15,22H,1-3H3/q+1.
What are the key properties of hydroxy-tris(4-methylphenyl)phosphanium?
hydroxy-tris(4-methylphenyl)phosphanium has a molecular weight of 321.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-tris(4-methylphenyl)phosphanium is sourced from PubChem (CID 57011859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).