2-dibutylphosphorylnaphthalene

C18H25OP — CID 102600182

IUPAC2-dibutylphosphorylnaphthalene
SMILESCCCCP(=O)(CCCC)c1ccc2ccccc2c1
InChIInChI=1S/C18H25OP/c1-3-5-13-20(19,14-6-4-2)18-12-11-16-9-7-8-10-17(16)15-18/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyCYJJIPJCARTZLF-UHFFFAOYSA-N
MW288.37 g/mol
LogP5.43
Rot. Bonds7

About 2-dibutylphosphorylnaphthalene

2-dibutylphosphorylnaphthalene (PubChem CID 102600182) has the molecular formula C18H25OP and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-dibutylphosphorylnaphthalene.

Molecular Properties

Compound Name2-dibutylphosphorylnaphthalene
PubChem CID102600182
Molecular FormulaC18H25OP
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-dibutylphosphorylnaphthalene
SMILESCCCCP(=O)(CCCC)c1ccc2ccccc2c1
InChIInChI=1S/C18H25OP/c1-3-5-13-20(19,14-6-4-2)18-12-11-16-9-7-8-10-17(16)15-18/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyCYJJIPJCARTZLF-UHFFFAOYSA-N
XLogP5.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 55.43
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 2-dibutylphosphorylnaphthalene?
The IUPAC name of 2-dibutylphosphorylnaphthalene (CID 102600182) is 2-dibutylphosphorylnaphthalene.
What is the SMILES notation for 2-dibutylphosphorylnaphthalene?
The canonical SMILES for 2-dibutylphosphorylnaphthalene is CCCCP(=O)(CCCC)c1ccc2ccccc2c1.
What is the InChIKey of 2-dibutylphosphorylnaphthalene?
The InChIKey is CYJJIPJCARTZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25OP/c1-3-5-13-20(19,14-6-4-2)18-12-11-16-9-7-8-10-17(16)15-18/h7-12,15H,3-6,13-14H2,1-2H3.
What are the key properties of 2-dibutylphosphorylnaphthalene?
2-dibutylphosphorylnaphthalene has a molecular weight of 288.37 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibutylphosphorylnaphthalene is sourced from PubChem (CID 102600182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).