bis(diethoxyphosphoryl)methylbenzene

C15H26O6P2 — CID 11132243

IUPACbis(diethoxyphosphoryl)methylbenzene
SMILESCCOP(=O)(OCC)C(c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C15H26O6P2/c1-5-18-22(16,19-6-2)15(14-12-10-9-11-13-14)23(17,20-7-3)21-8-4/h9-13,15H,5-8H2,1-4H3
InChIKeyTYOFBTIAHKOVHJ-UHFFFAOYSA-N
MW364.32 g/mol
LogP5.22
Rot. Bonds11

About bis(diethoxyphosphoryl)methylbenzene

bis(diethoxyphosphoryl)methylbenzene (PubChem CID 11132243) has the molecular formula C15H26O6P2 and a molecular weight of 364.32 g/mol. Its IUPAC name is bis(diethoxyphosphoryl)methylbenzene.

Molecular Properties

Compound Namebis(diethoxyphosphoryl)methylbenzene
PubChem CID11132243
Molecular FormulaC15H26O6P2
Molecular Weight364.32 g/mol
Exact Mass364.12
IUPAC Namebis(diethoxyphosphoryl)methylbenzene
SMILESCCOP(=O)(OCC)C(c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C15H26O6P2/c1-5-18-22(16,19-6-2)15(14-12-10-9-11-13-14)23(17,20-7-3)21-8-4/h9-13,15H,5-8H2,1-4H3
InChIKeyTYOFBTIAHKOVHJ-UHFFFAOYSA-N
XLogP5.22
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(diethoxyphosphoryl)methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
4-[bis(diethoxyphosphoryl)methyl]-N-methylaniline
CID 58756587
[diethoxyphosphoryl(methylsulfonyl)methyl]benzene
CID 14930742
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine
CID 23415563
(1-diethoxyphosphoryl-2-nitropropyl)benzene
CID 10017727
[(1R)-1-diethoxyphosphorylheptyl]benzene
CID 166637247
(2-diethoxyphosphoryl-1-nitro-2-phenylethyl)benzene
CID 10361332
[(1R)-1-diethoxyphosphoryl-2-nitroethyl]benzene
CID 7031986
1-[diethoxyphosphoryl(phenyl)methyl]naphthalene
CID 101476884
[(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane
CID 23420114
tris(1-diethoxyphosphorylethoxy)-phenylgermane
CID 23412737

Frequently Asked Questions

What is the IUPAC name of bis(diethoxyphosphoryl)methylbenzene?
The IUPAC name of bis(diethoxyphosphoryl)methylbenzene (CID 11132243) is bis(diethoxyphosphoryl)methylbenzene.
What is the SMILES notation for bis(diethoxyphosphoryl)methylbenzene?
The canonical SMILES for bis(diethoxyphosphoryl)methylbenzene is CCOP(=O)(OCC)C(c1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of bis(diethoxyphosphoryl)methylbenzene?
The InChIKey is TYOFBTIAHKOVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6P2/c1-5-18-22(16,19-6-2)15(14-12-10-9-11-13-14)23(17,20-7-3)21-8-4/h9-13,15H,5-8H2,1-4H3.
What are the key properties of bis(diethoxyphosphoryl)methylbenzene?
bis(diethoxyphosphoryl)methylbenzene has a molecular weight of 364.32 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethoxyphosphoryl)methylbenzene is sourced from PubChem (CID 11132243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).