[bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene

C30H32O7P2 — CID 14655497

IUPAC[bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene
SMILESO=P(COCP(=O)(OCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C30H32O7P2/c31-38(34-21-27-13-5-1-6-14-27,35-22-28-15-7-2-8-16-28)25-33-26-39(32,36-23-29-17-9-3-10-18-29)37-24-30-19-11-4-12-20-30/h1-20H,21-26H2
InChIKeyZMSLHGYLFZFPSW-UHFFFAOYSA-N
MW566.53 g/mol
LogP8.17
Rot. Bonds16

About [bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene

[bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene (PubChem CID 14655497) has the molecular formula C30H32O7P2 and a molecular weight of 566.53 g/mol. Its IUPAC name is [bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene
PubChem CID14655497
Molecular FormulaC30H32O7P2
Molecular Weight566.53 g/mol
Exact Mass566.16
IUPAC Name[bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene
SMILESO=P(COCP(=O)(OCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C30H32O7P2/c31-38(34-21-27-13-5-1-6-14-27,35-22-28-15-7-2-8-16-28)25-33-26-39(32,36-23-29-17-9-3-10-18-29)37-24-30-19-11-4-12-20-30/h1-20H,21-26H2
InChIKeyZMSLHGYLFZFPSW-UHFFFAOYSA-N
XLogP8.17
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.53
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene?
The IUPAC name of [bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene (CID 14655497) is [bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene.
What is the SMILES notation for [bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene?
The canonical SMILES for [bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene is O=P(COCP(=O)(OCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene?
The InChIKey is ZMSLHGYLFZFPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O7P2/c31-38(34-21-27-13-5-1-6-14-27,35-22-28-15-7-2-8-16-28)25-33-26-39(32,36-23-29-17-9-3-10-18-29)37-24-30-19-11-4-12-20-30/h1-20H,21-26H2.
What are the key properties of [bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene?
[bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene has a molecular weight of 566.53 g/mol, XLogP of 8.17, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(phenylmethoxy)phosphorylmethoxymethyl-phenylmethoxyphosphoryl]oxymethylbenzene is sourced from PubChem (CID 14655497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).