hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium

C19H18O2P+ — CID 129303936

IUPAChydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium
SMILESOCc1ccc([P+](O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H18O2P/c20-15-16-11-13-19(14-12-16)22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20-21H,15H2/q+1
InChIKeyRSNCKSPOIYHVRY-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.38
Rot. Bonds4

About hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium

hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium (PubChem CID 129303936) has the molecular formula C19H18O2P+ and a molecular weight of 309.33 g/mol. Its IUPAC name is hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium.

Molecular Properties

Compound Namehydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium
PubChem CID129303936
Molecular FormulaC19H18O2P+
Molecular Weight309.33 g/mol
Exact Mass309.10
IUPAC Namehydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium
SMILESOCc1ccc([P+](O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H18O2P/c20-15-16-11-13-19(14-12-16)22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20-21H,15H2/q+1
InChIKeyRSNCKSPOIYHVRY-UHFFFAOYSA-N
XLogP2.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[4-(hydroxymethyl)phenyl]-diphenylphosphanium?
The IUPAC name of hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium (CID 129303936) is hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium.
What is the SMILES notation for hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium?
The canonical SMILES for hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium is OCc1ccc([P+](O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium?
The InChIKey is RSNCKSPOIYHVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2P/c20-15-16-11-13-19(14-12-16)22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20-21H,15H2/q+1.
What are the key properties of hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium?
hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium has a molecular weight of 309.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium is sourced from PubChem (CID 129303936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).