(2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium

C22H22O3P+ — CID 70042263

IUPAC(2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21O3P/c23-26(24)25-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2/p+1
InChIKeyVOUZRJSIWLRIKE-UHFFFAOYSA-O
MW365.39 g/mol
LogP5.12
Rot. Bonds8

About (2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium

(2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium (PubChem CID 70042263) has the molecular formula C22H22O3P+ and a molecular weight of 365.39 g/mol. Its IUPAC name is (2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium
PubChem CID70042263
Molecular FormulaC22H22O3P+
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name(2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21O3P/c23-26(24)25-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2/p+1
InChIKeyVOUZRJSIWLRIKE-UHFFFAOYSA-O
XLogP5.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-2,2-bis(hydroxymethyl)-4-phenylbutane-1,3-diol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 159010463
hydroxy-(2-hydroxy-1,3-diphenylpropan-2-yl)-oxophosphanium
CID 68615340
1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride
CID 70071894
methyl-oxo-phenylmethoxyphosphanium
CID 20566646
dihydroxy(oxo)phosphanium;oxo-bis(phenylmethoxy)phosphanium
CID 159366011
disodium bis(oxido-oxo-phenylmethoxyphosphanium)
CID 171808155
3-(3-benzylpentan-3-yloxy)-3-oxopropanoic acid
CID 54187155
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137
chloro-oxo-phenylmethoxyphosphanium
CID 23320599
(2-methyl-1-phenylpropan-2-yl) trifluoromethanesulfonate
CID 87373674
3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium?
The IUPAC name of (2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium (CID 70042263) is (2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium.
What is the SMILES notation for (2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium?
The canonical SMILES for (2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium is O=[P+](O)OC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium?
The InChIKey is VOUZRJSIWLRIKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21O3P/c23-26(24)25-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2/p+1.
What are the key properties of (2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium?
(2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium has a molecular weight of 365.39 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 70042263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).