cyclohexyloxy-diphenoxy-phenylphosphanium

C24H26O3P+ — CID 174633842

IUPACcyclohexyloxy-diphenoxy-phenylphosphanium
SMILESc1ccc(O[P+](Oc2ccccc2)(OC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H26O3P/c1-5-13-21(14-6-1)25-28(24-19-11-4-12-20-24,26-22-15-7-2-8-16-22)27-23-17-9-3-10-18-23/h1-2,4-8,11-16,19-20,23H,3,9-10,17-18H2/q+1
InChIKeyDBBQDRNFRCTXEN-UHFFFAOYSA-N
MW393.44 g/mol
LogP6.58
Rot. Bonds7

About cyclohexyloxy-diphenoxy-phenylphosphanium

cyclohexyloxy-diphenoxy-phenylphosphanium (PubChem CID 174633842) has the molecular formula C24H26O3P+ and a molecular weight of 393.44 g/mol. Its IUPAC name is cyclohexyloxy-diphenoxy-phenylphosphanium.

Molecular Properties

Compound Namecyclohexyloxy-diphenoxy-phenylphosphanium
PubChem CID174633842
Molecular FormulaC24H26O3P+
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Namecyclohexyloxy-diphenoxy-phenylphosphanium
SMILESc1ccc(O[P+](Oc2ccccc2)(OC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H26O3P/c1-5-13-21(14-6-1)25-28(24-19-11-4-12-20-24,26-22-15-7-2-8-16-22)27-23-17-9-3-10-18-23/h1-2,4-8,11-16,19-20,23H,3,9-10,17-18H2/q+1
InChIKeyDBBQDRNFRCTXEN-UHFFFAOYSA-N
XLogP6.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

magnesium;cyclohexyloxybenzene;hydride
CID 174438663
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
2-[(R)-cyclohexyloxy(phenoxy)methoxy]ethanol
CID 175529809
cyclodecyl(triphenyl)phosphanium
CID 156526903
dicyclopropyloxy-methyl-phenylphosphanium
CID 69052333
(2-bromo-2-cyclopentyloxyethoxy)benzene
CID 66824854
cyclohexyl(triphenyl)phosphanium chloride
CID 18407754
chloro-dicyclohexyloxy-phenoxysilane
CID 69485487
2-cyclohexyloxy-2-phenylacetonitrile
CID 101349721
cyclododecyloxy(phenoxy)methanethione
CID 14200393
1-chloro-4-(dicyclohexyloxymethoxy)benzene
CID 134879759
cyclohexyl-methyl-diphenylphosphanium
CID 23418239

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy-diphenoxy-phenylphosphanium?
The IUPAC name of cyclohexyloxy-diphenoxy-phenylphosphanium (CID 174633842) is cyclohexyloxy-diphenoxy-phenylphosphanium.
What is the SMILES notation for cyclohexyloxy-diphenoxy-phenylphosphanium?
The canonical SMILES for cyclohexyloxy-diphenoxy-phenylphosphanium is c1ccc(O[P+](Oc2ccccc2)(OC2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of cyclohexyloxy-diphenoxy-phenylphosphanium?
The InChIKey is DBBQDRNFRCTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3P/c1-5-13-21(14-6-1)25-28(24-19-11-4-12-20-24,26-22-15-7-2-8-16-22)27-23-17-9-3-10-18-23/h1-2,4-8,11-16,19-20,23H,3,9-10,17-18H2/q+1.
What are the key properties of cyclohexyloxy-diphenoxy-phenylphosphanium?
cyclohexyloxy-diphenoxy-phenylphosphanium has a molecular weight of 393.44 g/mol, XLogP of 6.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy-diphenoxy-phenylphosphanium is sourced from PubChem (CID 174633842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).