butyl diphenyl phosphate

C16H19O4P — CID 17682

IUPACbutyl diphenyl phosphate
SMILESCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H19O4P/c1-2-3-14-18-21(17,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyDIBUFQMCUZYQKN-UHFFFAOYSA-N
MW306.30 g/mol
LogP5.07
Rot. Bonds8

About butyl diphenyl phosphate

butyl diphenyl phosphate (PubChem CID 17682) has the molecular formula C16H19O4P and a molecular weight of 306.30 g/mol. Its IUPAC name is butyl diphenyl phosphate.

Molecular Properties

Compound Namebutyl diphenyl phosphate
PubChem CID17682
Molecular FormulaC16H19O4P
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Namebutyl diphenyl phosphate
SMILESCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H19O4P/c1-2-3-14-18-21(17,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyDIBUFQMCUZYQKN-UHFFFAOYSA-N
XLogP5.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.30
LogP ≤ 55.07
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 butyl diphenyl phosphate?
The IUPAC name of butyl diphenyl phosphate (CID 17682) is butyl diphenyl phosphate.
What is the SMILES notation for butyl diphenyl phosphate?
The canonical SMILES for butyl diphenyl phosphate is CCCCOP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of butyl diphenyl phosphate?
The InChIKey is DIBUFQMCUZYQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O4P/c1-2-3-14-18-21(17,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3.
What are the key properties of butyl diphenyl phosphate?
butyl diphenyl phosphate has a molecular weight of 306.30 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl diphenyl phosphate is sourced from PubChem (CID 17682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).