1,1-diphenylethyl-hydroxy-oxophosphanium

C14H14O2P+ — CID 174317927

IUPAC1,1-diphenylethyl-hydroxy-oxophosphanium
SMILESCC(c1ccccc1)(c1ccccc1)[P+](=O)O
InChIInChI=1S/C14H13O2P/c1-14(17(15)16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3/p+1
InChIKeyYCBFZJMOWMCVHZ-UHFFFAOYSA-O
MW245.24 g/mol
LogP3.68
Rot. Bonds3

About 1,1-diphenylethyl-hydroxy-oxophosphanium

1,1-diphenylethyl-hydroxy-oxophosphanium (PubChem CID 174317927) has the molecular formula C14H14O2P+ and a molecular weight of 245.24 g/mol. Its IUPAC name is 1,1-diphenylethyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1,1-diphenylethyl-hydroxy-oxophosphanium
PubChem CID174317927
Molecular FormulaC14H14O2P+
Molecular Weight245.24 g/mol
Exact Mass245.07
IUPAC Name1,1-diphenylethyl-hydroxy-oxophosphanium
SMILESCC(c1ccccc1)(c1ccccc1)[P+](=O)O
InChIInChI=1S/C14H13O2P/c1-14(17(15)16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3/p+1
InChIKeyYCBFZJMOWMCVHZ-UHFFFAOYSA-O
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.68
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

[(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium
CID 131079563
methyl-oxo-(2-phenylpropan-2-yl)phosphanium
CID 89036832
hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium
CID 70150123
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
2,2-diphenylpentan-3-one
CID 70793023
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
lithium;tert-butylbenzene;hydride;sulfuric acid
CID 173469295
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
tert-butylbenzene;sulfuric acid;hydrochloride
CID 175109933
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
benzene;bis(hydroxy-methyl-oxophosphanium);zinc
CID 174903400

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylethyl-hydroxy-oxophosphanium?
The IUPAC name of 1,1-diphenylethyl-hydroxy-oxophosphanium (CID 174317927) is 1,1-diphenylethyl-hydroxy-oxophosphanium.
What is the SMILES notation for 1,1-diphenylethyl-hydroxy-oxophosphanium?
The canonical SMILES for 1,1-diphenylethyl-hydroxy-oxophosphanium is CC(c1ccccc1)(c1ccccc1)[P+](=O)O.
What is the InChIKey of 1,1-diphenylethyl-hydroxy-oxophosphanium?
The InChIKey is YCBFZJMOWMCVHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13O2P/c1-14(17(15)16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3/p+1.
What are the key properties of 1,1-diphenylethyl-hydroxy-oxophosphanium?
1,1-diphenylethyl-hydroxy-oxophosphanium has a molecular weight of 245.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylethyl-hydroxy-oxophosphanium is sourced from PubChem (CID 174317927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).