benzhydryl diethyl phosphate

C17H21O4P — CID 10448677

IUPACbenzhydryl diethyl phosphate
SMILESCCOP(=O)(OCC)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21O4P/c1-3-19-22(18,20-4-2)21-17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
InChIKeyLAFTXMBAHIHGDK-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.97
Rot. Bonds8

About benzhydryl diethyl phosphate

benzhydryl diethyl phosphate (PubChem CID 10448677) has the molecular formula C17H21O4P and a molecular weight of 320.33 g/mol. Its IUPAC name is benzhydryl diethyl phosphate.

Molecular Properties

Compound Namebenzhydryl diethyl phosphate
PubChem CID10448677
Molecular FormulaC17H21O4P
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Namebenzhydryl diethyl phosphate
SMILESCCOP(=O)(OCC)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21O4P/c1-3-19-22(18,20-4-2)21-17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
InChIKeyLAFTXMBAHIHGDK-UHFFFAOYSA-N
XLogP4.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzhydryl diethyl phosphate?
The IUPAC name of benzhydryl diethyl phosphate (CID 10448677) is benzhydryl diethyl phosphate.
What is the SMILES notation for benzhydryl diethyl phosphate?
The canonical SMILES for benzhydryl diethyl phosphate is CCOP(=O)(OCC)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl diethyl phosphate?
The InChIKey is LAFTXMBAHIHGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O4P/c1-3-19-22(18,20-4-2)21-17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3.
What are the key properties of benzhydryl diethyl phosphate?
benzhydryl diethyl phosphate has a molecular weight of 320.33 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl diethyl phosphate is sourced from PubChem (CID 10448677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).