[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene

C29H30O6P2 — CID 10864446

IUPAC[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene
SMILESO=P(CP(=O)(OCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C29H30O6P2/c30-36(32-21-26-13-5-1-6-14-26,33-22-27-15-7-2-8-16-27)25-37(31,34-23-28-17-9-3-10-18-28)35-24-29-19-11-4-12-20-29/h1-20H,21-25H2
InChIKeyQGJXMCFSTWTXMR-UHFFFAOYSA-N
MW536.50 g/mol
LogP8.20
Rot. Bonds14

About [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene

[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene (PubChem CID 10864446) has the molecular formula C29H30O6P2 and a molecular weight of 536.50 g/mol. Its IUPAC name is [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene
PubChem CID10864446
Molecular FormulaC29H30O6P2
Molecular Weight536.50 g/mol
Exact Mass536.15
IUPAC Name[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene
SMILESO=P(CP(=O)(OCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C29H30O6P2/c30-36(32-21-26-13-5-1-6-14-26,33-22-27-15-7-2-8-16-27)25-37(31,34-23-28-17-9-3-10-18-28)35-24-29-19-11-4-12-20-29/h1-20H,21-25H2
InChIKeyQGJXMCFSTWTXMR-UHFFFAOYSA-N
XLogP8.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.50
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Dibenzyl phosphate
CID 74189
Tribenzyl phosphate
CID 74359
Tetrabenzyl orthosilicate
CID 78139
Dicyclohexyl (hydroxy(phenyl)methyl)phosphonate
CID 3493139
sodium bis[(2E,10Z)-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl] phosphate
CID 148466990
Benzyl diphenylphosphinate
CID 298803
Tetrabenzyl pyrophosphate
CID 563183
Dibenzyl phosphite
CID 6334615
1-Ethoxy-3-phenyl-4-(2-phenylethynyl)-2,1lambda5-benzoxaphosphinine 1-oxide
CID 12988806
Benzyl dibutyl phosphate
CID 21712021
[Dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate
CID 10193340
Barium dibenzylphosphate
CID 201600

Frequently Asked Questions

What is the IUPAC name of [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene?
The IUPAC name of [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene (CID 10864446) is [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene.
What is the SMILES notation for [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene?
The canonical SMILES for [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene is O=P(CP(=O)(OCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene?
The InChIKey is QGJXMCFSTWTXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O6P2/c30-36(32-21-26-13-5-1-6-14-26,33-22-27-15-7-2-8-16-27)25-37(31,34-23-28-17-9-3-10-18-28)35-24-29-19-11-4-12-20-29/h1-20H,21-25H2.
What are the key properties of [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene?
[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene has a molecular weight of 536.50 g/mol, XLogP of 8.20, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]oxymethylbenzene is sourced from PubChem (CID 10864446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).