1,1-diphenylpropyl(oxo)phosphanium

C15H16OP+ — CID 154152930

IUPAC1,1-diphenylpropyl(oxo)phosphanium
SMILESCCC([PH+]=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15OP/c1-2-15(17-16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3/p+1
InChIKeyAEDHGZJVQLVOIQ-UHFFFAOYSA-O
MW243.27 g/mol
LogP4.36
Rot. Bonds4

About 1,1-diphenylpropyl(oxo)phosphanium

1,1-diphenylpropyl(oxo)phosphanium (PubChem CID 154152930) has the molecular formula C15H16OP+ and a molecular weight of 243.27 g/mol. Its IUPAC name is 1,1-diphenylpropyl(oxo)phosphanium.

Molecular Properties

Compound Name1,1-diphenylpropyl(oxo)phosphanium
PubChem CID154152930
Molecular FormulaC15H16OP+
Molecular Weight243.27 g/mol
Exact Mass243.09
IUPAC Name1,1-diphenylpropyl(oxo)phosphanium
SMILESCCC([PH+]=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15OP/c1-2-15(17-16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3/p+1
InChIKeyAEDHGZJVQLVOIQ-UHFFFAOYSA-O
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.36
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

3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate
CID 117062352
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
(1-phenyl-1-phosphorosopropyl)benzene
CID 154152931
ethane;3-methylpentan-3-ylbenzene
CID 90745317
3-phenylpentan-3-ylstibane
CID 173061066
4,4-dimethyl-3-phenylhexane-3-thiol
CID 163513171
triethyl(2-phenylbutan-2-yl)boranuide
CID 135048393
(2R)-2-fluoro-2-phenylbutanal
CID 130623517
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
2-chloro-2-phenylbutanoyl chloride
CID 174602040
bis(1-phenylpropane-1,1-diol);phosphoric acid
CID 175284612

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpropyl(oxo)phosphanium?
The IUPAC name of 1,1-diphenylpropyl(oxo)phosphanium (CID 154152930) is 1,1-diphenylpropyl(oxo)phosphanium.
What is the SMILES notation for 1,1-diphenylpropyl(oxo)phosphanium?
The canonical SMILES for 1,1-diphenylpropyl(oxo)phosphanium is CCC([PH+]=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylpropyl(oxo)phosphanium?
The InChIKey is AEDHGZJVQLVOIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15OP/c1-2-15(17-16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3/p+1.
What are the key properties of 1,1-diphenylpropyl(oxo)phosphanium?
1,1-diphenylpropyl(oxo)phosphanium has a molecular weight of 243.27 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylpropyl(oxo)phosphanium is sourced from PubChem (CID 154152930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).