2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol

C30H35OP — CID 54254683

IUPAC2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol
SMILESOc1c(-c2ccccc2)cccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H35OP/c31-30-26(23-13-4-1-5-14-23)20-12-21-28(30)27-19-10-11-22-29(27)32(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1,4-5,10-14,19-22,24-25,31H,2-3,6-9,15-18H2
InChIKeyQZEIEVDBNGIOJS-UHFFFAOYSA-N
MW442.58 g/mol
LogP8.50
Rot. Bonds5

About 2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol

2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol (PubChem CID 54254683) has the molecular formula C30H35OP and a molecular weight of 442.58 g/mol. Its IUPAC name is 2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol.

Molecular Properties

Compound Name2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol
PubChem CID54254683
Molecular FormulaC30H35OP
Molecular Weight442.58 g/mol
Exact Mass442.24
IUPAC Name2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol
SMILESOc1c(-c2ccccc2)cccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H35OP/c31-30-26(23-13-4-1-5-14-23)20-12-21-28(30)27-19-10-11-22-29(27)32(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1,4-5,10-14,19-22,24-25,31H,2-3,6-9,15-18H2
InChIKeyQZEIEVDBNGIOJS-UHFFFAOYSA-N
XLogP8.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol?
The IUPAC name of 2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol (CID 54254683) is 2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol.
What is the SMILES notation for 2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol?
The canonical SMILES for 2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol is Oc1c(-c2ccccc2)cccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol?
The InChIKey is QZEIEVDBNGIOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35OP/c31-30-26(23-13-4-1-5-14-23)20-12-21-28(30)27-19-10-11-22-29(27)32(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1,4-5,10-14,19-22,24-25,31H,2-3,6-9,15-18H2.
What are the key properties of 2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol?
2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol has a molecular weight of 442.58 g/mol, XLogP of 8.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol is sourced from PubChem (CID 54254683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).