dibutyl phenyl phosphate

C14H23O4P — CID 17312

IUPACdibutyl phenyl phosphate
SMILESCCCCOP(=O)(OCCCC)Oc1ccccc1
InChIInChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKeyYICSVBJRVMLQNS-UHFFFAOYSA-N
MW286.31 g/mol
LogP4.81
Rot. Bonds10

About dibutyl phenyl phosphate

dibutyl phenyl phosphate (PubChem CID 17312) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is dibutyl phenyl phosphate.

Molecular Properties

Compound Namedibutyl phenyl phosphate
PubChem CID17312
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Namedibutyl phenyl phosphate
SMILESCCCCOP(=O)(OCCCC)Oc1ccccc1
InChIInChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKeyYICSVBJRVMLQNS-UHFFFAOYSA-N
XLogP4.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dibutyl phenyl phosphate?
The IUPAC name of dibutyl phenyl phosphate (CID 17312) is dibutyl phenyl phosphate.
What is the SMILES notation for dibutyl phenyl phosphate?
The canonical SMILES for dibutyl phenyl phosphate is CCCCOP(=O)(OCCCC)Oc1ccccc1.
What is the InChIKey of dibutyl phenyl phosphate?
The InChIKey is YICSVBJRVMLQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of dibutyl phenyl phosphate?
dibutyl phenyl phosphate has a molecular weight of 286.31 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl phenyl phosphate is sourced from PubChem (CID 17312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).