cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane

C20H25O2P — CID 67507588

IUPACcyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane
SMILESCOc1ccc(PC2CCCCC2)c(OC)c1-c1ccccc1
InChIInChI=1S/C20H25O2P/c1-21-17-13-14-18(23-16-11-7-4-8-12-16)20(22-2)19(17)15-9-5-3-6-10-15/h3,5-6,9-10,13-14,16,23H,4,7-8,11-12H2,1-2H3
InChIKeyUEHKLVIROJSIED-UHFFFAOYSA-N
MW328.39 g/mol
LogP5.01
Rot. Bonds5

About cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane

cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane (PubChem CID 67507588) has the molecular formula C20H25O2P and a molecular weight of 328.39 g/mol. Its IUPAC name is cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane.

Molecular Properties

Compound Namecyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane
PubChem CID67507588
Molecular FormulaC20H25O2P
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namecyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane
SMILESCOc1ccc(PC2CCCCC2)c(OC)c1-c1ccccc1
InChIInChI=1S/C20H25O2P/c1-21-17-13-14-18(23-16-11-7-4-8-12-16)20(22-2)19(17)15-9-5-3-6-10-15/h3,5-6,9-10,13-14,16,23H,4,7-8,11-12H2,1-2H3
InChIKeyUEHKLVIROJSIED-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane?
The IUPAC name of cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane (CID 67507588) is cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane.
What is the SMILES notation for cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane?
The canonical SMILES for cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane is COc1ccc(PC2CCCCC2)c(OC)c1-c1ccccc1.
What is the InChIKey of cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane?
The InChIKey is UEHKLVIROJSIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O2P/c1-21-17-13-14-18(23-16-11-7-4-8-12-16)20(22-2)19(17)15-9-5-3-6-10-15/h3,5-6,9-10,13-14,16,23H,4,7-8,11-12H2,1-2H3.
What are the key properties of cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane?
cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane has a molecular weight of 328.39 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane is sourced from PubChem (CID 67507588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).