dioctylphosphorylmethylbenzene

C23H41OP — CID 13088451

IUPACdioctylphosphorylmethylbenzene
SMILESCCCCCCCCP(=O)(CCCCCCCC)Cc1ccccc1
InChIInChI=1S/C23H41OP/c1-3-5-7-9-11-16-20-25(24,21-17-12-10-8-6-4-2)22-23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3
InChIKeySZAQMRYDICITOU-UHFFFAOYSA-N
MW364.55 g/mol
LogP8.27
Rot. Bonds16

About dioctylphosphorylmethylbenzene

dioctylphosphorylmethylbenzene (PubChem CID 13088451) has the molecular formula C23H41OP and a molecular weight of 364.55 g/mol. Its IUPAC name is dioctylphosphorylmethylbenzene.

Molecular Properties

Compound Namedioctylphosphorylmethylbenzene
PubChem CID13088451
Molecular FormulaC23H41OP
Molecular Weight364.55 g/mol
Exact Mass364.29
IUPAC Namedioctylphosphorylmethylbenzene
SMILESCCCCCCCCP(=O)(CCCCCCCC)Cc1ccccc1
InChIInChI=1S/C23H41OP/c1-3-5-7-9-11-16-20-25(24,21-17-12-10-8-6-4-2)22-23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3
InChIKeySZAQMRYDICITOU-UHFFFAOYSA-N
XLogP8.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.55
LogP ≤ 58.27
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 dioctylphosphorylmethylbenzene?
The IUPAC name of dioctylphosphorylmethylbenzene (CID 13088451) is dioctylphosphorylmethylbenzene.
What is the SMILES notation for dioctylphosphorylmethylbenzene?
The canonical SMILES for dioctylphosphorylmethylbenzene is CCCCCCCCP(=O)(CCCCCCCC)Cc1ccccc1.
What is the InChIKey of dioctylphosphorylmethylbenzene?
The InChIKey is SZAQMRYDICITOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41OP/c1-3-5-7-9-11-16-20-25(24,21-17-12-10-8-6-4-2)22-23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3.
What are the key properties of dioctylphosphorylmethylbenzene?
dioctylphosphorylmethylbenzene has a molecular weight of 364.55 g/mol, XLogP of 8.27, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dioctylphosphorylmethylbenzene is sourced from PubChem (CID 13088451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).