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

C25H33OP — CID 11794186

IUPACdicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane
SMILESCOc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H33OP/c1-26-24-18-10-8-16-22(24)23-17-9-11-19-25(23)27(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h8-11,16-21H,2-7,12-15H2,1H3
InChIKeyYXJPHYNYXMEWKW-UHFFFAOYSA-N
MW380.51 g/mol
LogP7.13
Rot. Bonds5

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

dicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane (PubChem CID 11794186) has the molecular formula C25H33OP and a molecular weight of 380.51 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane
PubChem CID11794186
Molecular FormulaC25H33OP
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Namedicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane
SMILESCOc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H33OP/c1-26-24-18-10-8-16-22(24)23-17-9-11-19-25(23)27(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h8-11,16-21H,2-7,12-15H2,1H3
InChIKeyYXJPHYNYXMEWKW-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 57.13
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-methoxyphenyl)phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane (CID 11794186) is dicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane is COc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane?
The InChIKey is YXJPHYNYXMEWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33OP/c1-26-24-18-10-8-16-22(24)23-17-9-11-19-25(23)27(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h8-11,16-21H,2-7,12-15H2,1H3.
What are the key properties of dicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane?
dicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane has a molecular weight of 380.51 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-methoxyphenyl)phenyl]phosphane is sourced from PubChem (CID 11794186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).