hydroxymethyl(triphenyl)phosphanium

C19H18OP+ — CID 3083896

IUPAChydroxymethyl(triphenyl)phosphanium
SMILESOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18OP/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2/q+1
InChIKeyPHTYUJZVAWPHRZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.93
Rot. Bonds4

About hydroxymethyl(triphenyl)phosphanium

hydroxymethyl(triphenyl)phosphanium (PubChem CID 3083896) has the molecular formula C19H18OP+ and a molecular weight of 293.33 g/mol. Its IUPAC name is hydroxymethyl(triphenyl)phosphanium.

Molecular Properties

Compound Namehydroxymethyl(triphenyl)phosphanium
PubChem CID3083896
Molecular FormulaC19H18OP+
Molecular Weight293.33 g/mol
Exact Mass293.11
IUPAC Namehydroxymethyl(triphenyl)phosphanium
SMILESOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18OP/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2/q+1
InChIKeyPHTYUJZVAWPHRZ-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.93
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 hydroxymethyl(triphenyl)phosphanium?
The IUPAC name of hydroxymethyl(triphenyl)phosphanium (CID 3083896) is hydroxymethyl(triphenyl)phosphanium.
What is the SMILES notation for hydroxymethyl(triphenyl)phosphanium?
The canonical SMILES for hydroxymethyl(triphenyl)phosphanium is OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxymethyl(triphenyl)phosphanium?
The InChIKey is PHTYUJZVAWPHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OP/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2/q+1.
What are the key properties of hydroxymethyl(triphenyl)phosphanium?
hydroxymethyl(triphenyl)phosphanium has a molecular weight of 293.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl(triphenyl)phosphanium is sourced from PubChem (CID 3083896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).