dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane

C32H39OP — CID 139212495

IUPACdicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane
SMILESc1ccc(CCOc2ccccc2-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C32H39OP/c1-4-14-26(15-5-1)24-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)34(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1,4-5,10-15,20-23,27-28H,2-3,6-9,16-19,24-25H2
InChIKeyXUNDFPWUFQIDSP-UHFFFAOYSA-N
MW470.64 g/mol
LogP8.75
Rot. Bonds8

About dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane

dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane (PubChem CID 139212495) has the molecular formula C32H39OP and a molecular weight of 470.64 g/mol. Its IUPAC name is dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane
PubChem CID139212495
Molecular FormulaC32H39OP
Molecular Weight470.64 g/mol
Exact Mass470.27
IUPAC Namedicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane
SMILESc1ccc(CCOc2ccccc2-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C32H39OP/c1-4-14-26(15-5-1)24-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)34(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1,4-5,10-15,20-23,27-28H,2-3,6-9,16-19,24-25H2
InChIKeyXUNDFPWUFQIDSP-UHFFFAOYSA-N
XLogP8.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 58.75
H-Bond Donors ≤ 50
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 dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane (CID 139212495) is dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane is c1ccc(CCOc2ccccc2-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane?
The InChIKey is XUNDFPWUFQIDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39OP/c1-4-14-26(15-5-1)24-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)34(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1,4-5,10-15,20-23,27-28H,2-3,6-9,16-19,24-25H2.
What are the key properties of dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane?
dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane has a molecular weight of 470.64 g/mol, XLogP of 8.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-[2-(2-phenylethoxy)phenyl]phenyl]phosphane is sourced from PubChem (CID 139212495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).