5-octylbenzo[b]phosphindole 5-oxide

C20H25OP — CID 68843154

IUPAC5-octylbenzo[b]phosphindole 5-oxide
SMILESCCCCCCCCP1(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H25OP/c1-2-3-4-5-6-11-16-22(21)19-14-9-7-12-17(19)18-13-8-10-15-20(18)22/h7-10,12-15H,2-6,11,16H2,1H3
InChIKeyXUNNPLNTJDZIOK-UHFFFAOYSA-N
MW312.39 g/mol
LogP5.34
Rot. Bonds7

About 5-octylbenzo[b]phosphindole 5-oxide

5-octylbenzo[b]phosphindole 5-oxide (PubChem CID 68843154) has the molecular formula C20H25OP and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-octylbenzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name5-octylbenzo[b]phosphindole 5-oxide
PubChem CID68843154
Molecular FormulaC20H25OP
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name5-octylbenzo[b]phosphindole 5-oxide
SMILESCCCCCCCCP1(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H25OP/c1-2-3-4-5-6-11-16-22(21)19-14-9-7-12-17(19)18-13-8-10-15-20(18)22/h7-10,12-15H,2-6,11,16H2,1H3
InChIKeyXUNNPLNTJDZIOK-UHFFFAOYSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-octylbenzo[b]phosphindole 5-oxide?
The IUPAC name of 5-octylbenzo[b]phosphindole 5-oxide (CID 68843154) is 5-octylbenzo[b]phosphindole 5-oxide.
What is the SMILES notation for 5-octylbenzo[b]phosphindole 5-oxide?
The canonical SMILES for 5-octylbenzo[b]phosphindole 5-oxide is CCCCCCCCP1(=O)c2ccccc2-c2ccccc21.
What is the InChIKey of 5-octylbenzo[b]phosphindole 5-oxide?
The InChIKey is XUNNPLNTJDZIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25OP/c1-2-3-4-5-6-11-16-22(21)19-14-9-7-12-17(19)18-13-8-10-15-20(18)22/h7-10,12-15H,2-6,11,16H2,1H3.
What are the key properties of 5-octylbenzo[b]phosphindole 5-oxide?
5-octylbenzo[b]phosphindole 5-oxide has a molecular weight of 312.39 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octylbenzo[b]phosphindole 5-oxide is sourced from PubChem (CID 68843154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).