dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane

C21H33O3P — CID 46867875

IUPACdicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane
SMILESCOc1cc(OC)c(P(C2CCCCC2)C2CCCCC2)c(OC)c1
InChIInChI=1S/C21H33O3P/c1-22-16-14-19(23-2)21(20(15-16)24-3)25(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h14-15,17-18H,4-13H2,1-3H3
InChIKeyODOMRTFNZDRFHH-UHFFFAOYSA-N
MW364.47 g/mol
LogP5.49
Rot. Bonds6

About dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane

dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane (PubChem CID 46867875) has the molecular formula C21H33O3P and a molecular weight of 364.47 g/mol. Its IUPAC name is dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane
PubChem CID46867875
Molecular FormulaC21H33O3P
Molecular Weight364.47 g/mol
Exact Mass364.22
IUPAC Namedicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane
SMILESCOc1cc(OC)c(P(C2CCCCC2)C2CCCCC2)c(OC)c1
InChIInChI=1S/C21H33O3P/c1-22-16-14-19(23-2)21(20(15-16)24-3)25(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h14-15,17-18H,4-13H2,1-3H3
InChIKeyODOMRTFNZDRFHH-UHFFFAOYSA-N
XLogP5.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,4,6-trimethoxyphenyl)phosphane?
The IUPAC name of dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane (CID 46867875) is dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane.
What is the SMILES notation for dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane?
The canonical SMILES for dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane is COc1cc(OC)c(P(C2CCCCC2)C2CCCCC2)c(OC)c1.
What is the InChIKey of dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane?
The InChIKey is ODOMRTFNZDRFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33O3P/c1-22-16-14-19(23-2)21(20(15-16)24-3)25(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h14-15,17-18H,4-13H2,1-3H3.
What are the key properties of dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane?
dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane has a molecular weight of 364.47 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphane is sourced from PubChem (CID 46867875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).