diethyl (2-phenylphenyl) phosphate

C16H19O4P — CID 54478684

IUPACdiethyl (2-phenylphenyl) phosphate
SMILESCCOP(=O)(OCC)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19O4P/c1-3-18-21(17,19-4-2)20-16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyXNLGUIZFIVRAKE-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.91
Rot. Bonds7

About diethyl (2-phenylphenyl) phosphate

diethyl (2-phenylphenyl) phosphate (PubChem CID 54478684) has the molecular formula C16H19O4P and a molecular weight of 306.30 g/mol. Its IUPAC name is diethyl (2-phenylphenyl) phosphate.

Molecular Properties

Compound Namediethyl (2-phenylphenyl) phosphate
PubChem CID54478684
Molecular FormulaC16H19O4P
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Namediethyl (2-phenylphenyl) phosphate
SMILESCCOP(=O)(OCC)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19O4P/c1-3-18-21(17,19-4-2)20-16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyXNLGUIZFIVRAKE-UHFFFAOYSA-N
XLogP4.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexyl diphenyl phosphate
CID 14716
Fosfestrol
CID 3032325
Diphenyl cresyl phosphate
CID 520263
o-Cresyl phosphate
CID 6527
Tri-p-cresyl phosphate
CID 6529
Tri-m-cresyl phosphate
CID 11232
Monocresyl diphenyl phosphate
CID 6528
SODIUM o-PHENYLPHENOL
CID 23675735
Tris(nonylphenyl)phosphite
CID 76452
Tris(isopropylphenyl) phosphate
CID 75628
Trixylenyl phosphate
CID 19736
Tris(p-t-butylphenyl) phosphate
CID 6530

Frequently Asked Questions

What is the IUPAC name of diethyl (2-phenylphenyl) phosphate?
The IUPAC name of diethyl (2-phenylphenyl) phosphate (CID 54478684) is diethyl (2-phenylphenyl) phosphate.
What is the SMILES notation for diethyl (2-phenylphenyl) phosphate?
The canonical SMILES for diethyl (2-phenylphenyl) phosphate is CCOP(=O)(OCC)Oc1ccccc1-c1ccccc1.
What is the InChIKey of diethyl (2-phenylphenyl) phosphate?
The InChIKey is XNLGUIZFIVRAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O4P/c1-3-18-21(17,19-4-2)20-16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3.
What are the key properties of diethyl (2-phenylphenyl) phosphate?
diethyl (2-phenylphenyl) phosphate has a molecular weight of 306.30 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2-phenylphenyl) phosphate is sourced from PubChem (CID 54478684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).