[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene

C16H20O5P2 — CID 23415634

IUPAC[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
SMILESCCOP(=O)(OP(=O)(OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20O5P2/c1-3-19-22(17,15-11-7-5-8-12-15)21-23(18,20-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyXZXLXTCQPNBQON-UHFFFAOYSA-N
MW354.28 g/mol
LogP4.11
Rot. Bonds8

About [ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene

[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene (PubChem CID 23415634) has the molecular formula C16H20O5P2 and a molecular weight of 354.28 g/mol. Its IUPAC name is [ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene.

Molecular Properties

Compound Name[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
PubChem CID23415634
Molecular FormulaC16H20O5P2
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
SMILESCCOP(=O)(OP(=O)(OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20O5P2/c1-3-19-22(17,15-11-7-5-8-12-15)21-23(18,20-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyXZXLXTCQPNBQON-UHFFFAOYSA-N
XLogP4.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
dipropoxyphosphorylbenzene
CID 11736632
1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
CID 12651419
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
4-diethoxyphosphoryl-N-ethylaniline
CID 23415640
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
2-[2-[ethoxy(phenyl)phosphoryl]oxyethyl]-2-phenyl-1,3-dioxolane
CID 20710205
1-diethoxyphosphoryl-3-iodobenzene
CID 18374549
di(tridecoxy)phosphorylbenzene
CID 87531060

Frequently Asked Questions

What is the IUPAC name of [ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene?
The IUPAC name of [ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene (CID 23415634) is [ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene.
What is the SMILES notation for [ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene?
The canonical SMILES for [ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene is CCOP(=O)(OP(=O)(OCC)c1ccccc1)c1ccccc1.
What is the InChIKey of [ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene?
The InChIKey is XZXLXTCQPNBQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5P2/c1-3-19-22(17,15-11-7-5-8-12-15)21-23(18,20-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of [ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene?
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene has a molecular weight of 354.28 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene is sourced from PubChem (CID 23415634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).