ethoxyethane;(2-phenylphenyl) dihydrogen phosphate

C16H21O5P — CID 67681230

IUPACethoxyethane;(2-phenylphenyl) dihydrogen phosphate
SMILESCCOCC.O=P(O)(O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H11O4P.C4H10O/c13-17(14,15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-5-4-2/h1-9H,(H2,13,14,15);3-4H2,1-2H3
InChIKeyFGVMIECGIOGLPE-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.87
Rot. Bonds5

About ethoxyethane;(2-phenylphenyl) dihydrogen phosphate

ethoxyethane;(2-phenylphenyl) dihydrogen phosphate (PubChem CID 67681230) has the molecular formula C16H21O5P and a molecular weight of 324.31 g/mol. Its IUPAC name is ethoxyethane;(2-phenylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Nameethoxyethane;(2-phenylphenyl) dihydrogen phosphate
PubChem CID67681230
Molecular FormulaC16H21O5P
Molecular Weight324.31 g/mol
Exact Mass324.11
IUPAC Nameethoxyethane;(2-phenylphenyl) dihydrogen phosphate
SMILESCCOCC.O=P(O)(O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H11O4P.C4H10O/c13-17(14,15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-5-4-2/h1-9H,(H2,13,14,15);3-4H2,1-2H3
InChIKeyFGVMIECGIOGLPE-UHFFFAOYSA-N
XLogP3.87
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylphenyl) dihydrogen phosphate
CID 19371408
methyl (2-phenylphenyl) hydrogen phosphate
CID 142726316
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate
CID 68740859
phenyl (2-phenylphenyl) hydrogen phosphate
CID 21401890
(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate
CID 139623826
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
ethoxyethane;(2-octylphenyl) dihydrogen phosphate
CID 66830836
1-[chloro-(2-phenylphenoxy)phosphoryl]oxy-2-phenylbenzene
CID 21469895
[2,3-di(nonyl)-4-phenylphenyl] dihydrogen phosphate
CID 22481171
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;(2-phenylphenyl) dihydrogen phosphate?
The IUPAC name of ethoxyethane;(2-phenylphenyl) dihydrogen phosphate (CID 67681230) is ethoxyethane;(2-phenylphenyl) dihydrogen phosphate.
What is the SMILES notation for ethoxyethane;(2-phenylphenyl) dihydrogen phosphate?
The canonical SMILES for ethoxyethane;(2-phenylphenyl) dihydrogen phosphate is CCOCC.O=P(O)(O)Oc1ccccc1-c1ccccc1.
What is the InChIKey of ethoxyethane;(2-phenylphenyl) dihydrogen phosphate?
The InChIKey is FGVMIECGIOGLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P.C4H10O/c13-17(14,15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-5-4-2/h1-9H,(H2,13,14,15);3-4H2,1-2H3.
What are the key properties of ethoxyethane;(2-phenylphenyl) dihydrogen phosphate?
ethoxyethane;(2-phenylphenyl) dihydrogen phosphate has a molecular weight of 324.31 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;(2-phenylphenyl) dihydrogen phosphate is sourced from PubChem (CID 67681230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).