1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium

C15H16O2P+ — CID 151391700

IUPAC1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
SMILESO=[P+](O)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H15O2P/c16-18(17)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2/p+1
InChIKeyFDAMAVDGJJNQKL-UHFFFAOYSA-O
MW259.27 g/mol
LogP3.58
Rot. Bonds5

About 1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium

1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium (PubChem CID 151391700) has the molecular formula C15H16O2P+ and a molecular weight of 259.27 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
PubChem CID151391700
Molecular FormulaC15H16O2P+
Molecular Weight259.27 g/mol
Exact Mass259.09
IUPAC Name1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
SMILESO=[P+](O)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H15O2P/c16-18(17)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2/p+1
InChIKeyFDAMAVDGJJNQKL-UHFFFAOYSA-O
XLogP3.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium
CID 67592764
(2-amino-3-phenylpropyl)-hydroxy-oxophosphanium
CID 15591254
1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride
CID 70071894
(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium
CID 159490168
(3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium
CID 70151667
CID 20537348
CID 20537348
(2S)-2-benzyl-3,3,3-trifluoropropanoic acid
CID 101484262
(2S)-2-aminooxy-3-phenylpropanoic acid
CID 15582761
CID 175525029
CID 175525029
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium?
The IUPAC name of 1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium (CID 151391700) is 1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium.
What is the SMILES notation for 1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium?
The canonical SMILES for 1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium is O=[P+](O)C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium?
The InChIKey is FDAMAVDGJJNQKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15O2P/c16-18(17)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2/p+1.
What are the key properties of 1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium?
1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium has a molecular weight of 259.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium is sourced from PubChem (CID 151391700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).