triphenyl(propan-2-yloxymethyl)phosphanium chloride

C22H24ClOP — CID 172782350

IUPACtriphenyl(propan-2-yloxymethyl)phosphanium chloride
SMILESCC(C)OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H24OP.ClH/c1-19(2)23-18-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,19H,18H2,1-2H3;1H/q+1;/p-1
InChIKeyOKSSCRPRVCOGOW-UHFFFAOYSA-M
MW370.86 g/mol
LogP1.37
Rot. Bonds6

About triphenyl(propan-2-yloxymethyl)phosphanium chloride

triphenyl(propan-2-yloxymethyl)phosphanium chloride (PubChem CID 172782350) has the molecular formula C22H24ClOP and a molecular weight of 370.86 g/mol. Its IUPAC name is triphenyl(propan-2-yloxymethyl)phosphanium chloride.

Molecular Properties

Compound Nametriphenyl(propan-2-yloxymethyl)phosphanium chloride
PubChem CID172782350
Molecular FormulaC22H24ClOP
Molecular Weight370.86 g/mol
Exact Mass370.13
IUPAC Nametriphenyl(propan-2-yloxymethyl)phosphanium chloride
SMILESCC(C)OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H24OP.ClH/c1-19(2)23-18-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,19H,18H2,1-2H3;1H/q+1;/p-1
InChIKeyOKSSCRPRVCOGOW-UHFFFAOYSA-M
XLogP1.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methoxymethyl(triphenyl)phosphanium;hydrate
CID 87989481
potassium;methoxymethyl(triphenyl)phosphanium;2-methylpropan-2-olate;chloride
CID 161224335
[(2S)-1-propan-2-yloxypropan-2-yl]benzene
CID 157034832
[(2S)-2-methoxypropyl]-triphenylphosphanium
CID 98159687
5,5-diethoxypentyl(triphenyl)phosphanium
CID 156628237
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
triphenyl(phenylmethoxymethyl)phosphanium bromide
CID 87779262
ethoxy(triphenyl)phosphanium chloride
CID 154791752
triphenyl(trimethylsilylmethyl)phosphanium chloride
CID 86227333
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
[(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
CID 14764474
13,13-diethoxytridecyl(triphenyl)phosphanium
CID 156628251

Frequently Asked Questions

What is the IUPAC name of triphenyl(propan-2-yloxymethyl)phosphanium chloride?
The IUPAC name of triphenyl(propan-2-yloxymethyl)phosphanium chloride (CID 172782350) is triphenyl(propan-2-yloxymethyl)phosphanium chloride.
What is the SMILES notation for triphenyl(propan-2-yloxymethyl)phosphanium chloride?
The canonical SMILES for triphenyl(propan-2-yloxymethyl)phosphanium chloride is CC(C)OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of triphenyl(propan-2-yloxymethyl)phosphanium chloride?
The InChIKey is OKSSCRPRVCOGOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24OP.ClH/c1-19(2)23-18-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,19H,18H2,1-2H3;1H/q+1;/p-1.
What are the key properties of triphenyl(propan-2-yloxymethyl)phosphanium chloride?
triphenyl(propan-2-yloxymethyl)phosphanium chloride has a molecular weight of 370.86 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(propan-2-yloxymethyl)phosphanium chloride is sourced from PubChem (CID 172782350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).