dicyclohexyl-bis(4-methylphenoxy)phosphanium

C26H36O2P+ — CID 57252165

IUPACdicyclohexyl-bis(4-methylphenoxy)phosphanium
SMILESCc1ccc(O[P+](Oc2ccc(C)cc2)(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H36O2P/c1-21-13-17-23(18-14-21)27-29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)28-24-19-15-22(2)16-20-24/h13-20,25-26H,3-12H2,1-2H3/q+1
InChIKeyPOJYMTXOMDSSMP-UHFFFAOYSA-N
MW411.55 g/mol
LogP8.27
Rot. Bonds6

About dicyclohexyl-bis(4-methylphenoxy)phosphanium

dicyclohexyl-bis(4-methylphenoxy)phosphanium (PubChem CID 57252165) has the molecular formula C26H36O2P+ and a molecular weight of 411.55 g/mol. Its IUPAC name is dicyclohexyl-bis(4-methylphenoxy)phosphanium.

Molecular Properties

Compound Namedicyclohexyl-bis(4-methylphenoxy)phosphanium
PubChem CID57252165
Molecular FormulaC26H36O2P+
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Namedicyclohexyl-bis(4-methylphenoxy)phosphanium
SMILESCc1ccc(O[P+](Oc2ccc(C)cc2)(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H36O2P/c1-21-13-17-23(18-14-21)27-29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)28-24-19-15-22(2)16-20-24/h13-20,25-26H,3-12H2,1-2H3/q+1
InChIKeyPOJYMTXOMDSSMP-UHFFFAOYSA-N
XLogP8.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene
CID 90367452
iodo-tris(4-methylphenoxy)phosphanium
CID 139153583
1-(1-deuteriocyclohexyl)-4-methylbenzene
CID 140825549
1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239889
1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene
CID 11184311
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 120545463
1-O-cyclohexyl 3-O-(4-methylphenyl) 2-methylpropanedioate
CID 89131993
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
CID 90498772

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-bis(4-methylphenoxy)phosphanium?
The IUPAC name of dicyclohexyl-bis(4-methylphenoxy)phosphanium (CID 57252165) is dicyclohexyl-bis(4-methylphenoxy)phosphanium.
What is the SMILES notation for dicyclohexyl-bis(4-methylphenoxy)phosphanium?
The canonical SMILES for dicyclohexyl-bis(4-methylphenoxy)phosphanium is Cc1ccc(O[P+](Oc2ccc(C)cc2)(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of dicyclohexyl-bis(4-methylphenoxy)phosphanium?
The InChIKey is POJYMTXOMDSSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2P/c1-21-13-17-23(18-14-21)27-29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)28-24-19-15-22(2)16-20-24/h13-20,25-26H,3-12H2,1-2H3/q+1.
What are the key properties of dicyclohexyl-bis(4-methylphenoxy)phosphanium?
dicyclohexyl-bis(4-methylphenoxy)phosphanium has a molecular weight of 411.55 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-bis(4-methylphenoxy)phosphanium is sourced from PubChem (CID 57252165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).