1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride

C15H17ClO3P+ — CID 70071894

IUPAC1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride
SMILESCl.O=[P+](O)OC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H15O3P.ClH/c16-19(17)18-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H/p+1
InChIKeyPTWFTKPQKJPRMU-UHFFFAOYSA-O
MW311.73 g/mol
LogP3.93
Rot. Bonds6

About 1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride

1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride (PubChem CID 70071894) has the molecular formula C15H17ClO3P+ and a molecular weight of 311.73 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride.

Molecular Properties

Compound Name1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride
PubChem CID70071894
Molecular FormulaC15H17ClO3P+
Molecular Weight311.73 g/mol
Exact Mass311.06
IUPAC Name1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride
SMILESCl.O=[P+](O)OC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H15O3P.ClH/c16-19(17)18-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H/p+1
InChIKeyPTWFTKPQKJPRMU-UHFFFAOYSA-O
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 53.93
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

1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
CID 151391700
hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium
CID 67592764
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
benzhydryloxy-hydroxy-oxophosphanium
CID 66793238
methyl-oxo-phenylmethoxyphosphanium
CID 20566646
(2-benzyl-1,3-diphenylpropan-2-yl)oxy-hydroxy-oxophosphanium
CID 70042263
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
1,3-diphenylpropan-2-yl formate
CID 122547977
(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium
CID 159490168
(2-amino-3-phenylpropyl)-hydroxy-oxophosphanium
CID 15591254
bis(1,2-diphenylethoxy)-oxophosphanium
CID 57192035
1,3-diphenylpropan-2-yloxybenzene
CID 54221058

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride?
The IUPAC name of 1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride (CID 70071894) is 1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride.
What is the SMILES notation for 1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride?
The canonical SMILES for 1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride is Cl.O=[P+](O)OC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride?
The InChIKey is PTWFTKPQKJPRMU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15O3P.ClH/c16-19(17)18-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H/p+1.
What are the key properties of 1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride?
1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride has a molecular weight of 311.73 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride is sourced from PubChem (CID 70071894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).