bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium

C28H24Cl2O3P+ — CID 57020602

IUPACbis(2-chloro-2,2-diphenylethoxy)-oxophosphanium
SMILESO=[P+](OCC(Cl)(c1ccccc1)c1ccccc1)OCC(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24Cl2O3P/c29-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-32-34(31)33-22-28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2/q+1
InChIKeyUTSVZMMMSOSOOK-UHFFFAOYSA-N
MW510.38 g/mol
LogP8.04
Rot. Bonds10

About bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium

bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium (PubChem CID 57020602) has the molecular formula C28H24Cl2O3P+ and a molecular weight of 510.38 g/mol. Its IUPAC name is bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-chloro-2,2-diphenylethoxy)-oxophosphanium
PubChem CID57020602
Molecular FormulaC28H24Cl2O3P+
Molecular Weight510.38 g/mol
Exact Mass509.08
IUPAC Namebis(2-chloro-2,2-diphenylethoxy)-oxophosphanium
SMILESO=[P+](OCC(Cl)(c1ccccc1)c1ccccc1)OCC(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24Cl2O3P/c29-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-32-34(31)33-22-28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2/q+1
InChIKeyUTSVZMMMSOSOOK-UHFFFAOYSA-N
XLogP8.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.38
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium
CID 157259236
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
2-methyl-3-phenoxy-2-phenylpropanoic acid
CID 174875676
[2-phenyl-2,2-bis(sulfanyl)ethyl] formate
CID 90819679
methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium
CID 162300033
ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium
CID 90802212
2-methyl-2-phenyl-3-propoxypropanoic acid
CID 175070195
[chloro(diphenyl)methyl]benzene;dichloromethane
CID 162037283
[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
CID 23018909
methyl-oxo-(2-phenylpropan-2-yl)phosphanium
CID 89036832
[dichloro(phenyl)methyl] carbamate
CID 66779545
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium?
The IUPAC name of bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium (CID 57020602) is bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium.
What is the SMILES notation for bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium?
The canonical SMILES for bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium is O=[P+](OCC(Cl)(c1ccccc1)c1ccccc1)OCC(Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium?
The InChIKey is UTSVZMMMSOSOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2O3P/c29-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-32-34(31)33-22-28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2/q+1.
What are the key properties of bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium?
bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium has a molecular weight of 510.38 g/mol, XLogP of 8.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium is sourced from PubChem (CID 57020602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).