methoxymethyl(triphenyl)phosphanium;hydrate

C20H22O2P+ — CID 87989481

IUPACmethoxymethyl(triphenyl)phosphanium;hydrate
SMILESCOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O
InChIInChI=1S/C20H20OP.H2O/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H2/q+1;
InChIKeyLJCVYBNBSCCSIG-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.76
Rot. Bonds5

About methoxymethyl(triphenyl)phosphanium;hydrate

methoxymethyl(triphenyl)phosphanium;hydrate (PubChem CID 87989481) has the molecular formula C20H22O2P+ and a molecular weight of 325.37 g/mol. Its IUPAC name is methoxymethyl(triphenyl)phosphanium;hydrate.

Molecular Properties

Compound Namemethoxymethyl(triphenyl)phosphanium;hydrate
PubChem CID87989481
Molecular FormulaC20H22O2P+
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namemethoxymethyl(triphenyl)phosphanium;hydrate
SMILESCOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O
InChIInChI=1S/C20H20OP.H2O/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H2/q+1;
InChIKeyLJCVYBNBSCCSIG-UHFFFAOYSA-N
XLogP2.76
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.76
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 methoxymethyl(triphenyl)phosphanium;hydrate?
The IUPAC name of methoxymethyl(triphenyl)phosphanium;hydrate (CID 87989481) is methoxymethyl(triphenyl)phosphanium;hydrate.
What is the SMILES notation for methoxymethyl(triphenyl)phosphanium;hydrate?
The canonical SMILES for methoxymethyl(triphenyl)phosphanium;hydrate is COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O.
What is the InChIKey of methoxymethyl(triphenyl)phosphanium;hydrate?
The InChIKey is LJCVYBNBSCCSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20OP.H2O/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H2/q+1;.
What are the key properties of methoxymethyl(triphenyl)phosphanium;hydrate?
methoxymethyl(triphenyl)phosphanium;hydrate has a molecular weight of 325.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl(triphenyl)phosphanium;hydrate is sourced from PubChem (CID 87989481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).