1-diphenoxyphosphoryladamantane

C22H25O3P — CID 11111379

IUPAC1-diphenoxyphosphoryladamantane
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H25O3P/c23-26(24-20-7-3-1-4-8-20,25-21-9-5-2-6-10-21)22-14-17-11-18(15-22)13-19(12-17)16-22/h1-10,17-19H,11-16H2
InChIKeyYIUINRQLFRKSTR-UHFFFAOYSA-N
MW368.41 g/mol
LogP6.31
Rot. Bonds5

About 1-diphenoxyphosphoryladamantane

1-diphenoxyphosphoryladamantane (PubChem CID 11111379) has the molecular formula C22H25O3P and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-diphenoxyphosphoryladamantane.

Molecular Properties

Compound Name1-diphenoxyphosphoryladamantane
PubChem CID11111379
Molecular FormulaC22H25O3P
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name1-diphenoxyphosphoryladamantane
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H25O3P/c23-26(24-20-7-3-1-4-8-20,25-21-9-5-2-6-10-21)22-14-17-11-18(15-22)13-19(12-17)16-22/h1-10,17-19H,11-16H2
InChIKeyYIUINRQLFRKSTR-UHFFFAOYSA-N
XLogP6.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 56.31
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 1-diphenoxyphosphoryladamantane?
The IUPAC name of 1-diphenoxyphosphoryladamantane (CID 11111379) is 1-diphenoxyphosphoryladamantane.
What is the SMILES notation for 1-diphenoxyphosphoryladamantane?
The canonical SMILES for 1-diphenoxyphosphoryladamantane is O=P(Oc1ccccc1)(Oc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-diphenoxyphosphoryladamantane?
The InChIKey is YIUINRQLFRKSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25O3P/c23-26(24-20-7-3-1-4-8-20,25-21-9-5-2-6-10-21)22-14-17-11-18(15-22)13-19(12-17)16-22/h1-10,17-19H,11-16H2.
What are the key properties of 1-diphenoxyphosphoryladamantane?
1-diphenoxyphosphoryladamantane has a molecular weight of 368.41 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenoxyphosphoryladamantane is sourced from PubChem (CID 11111379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).