1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene

C42H40O5P2 — CID 15821135

IUPAC1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene
SMILESO=P(Cc1ccccc1OCCOCCOc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H40O5P2/c43-48(37-19-5-1-6-20-37,38-21-7-2-8-22-38)33-35-17-13-15-27-41(35)46-31-29-45-30-32-47-42-28-16-14-18-36(42)34-49(44,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-28H,29-34H2
InChIKeyCPCVCIZORAEBDY-UHFFFAOYSA-N
MW686.72 g/mol
LogP8.19
Rot. Bonds16

About 1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene

1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene (PubChem CID 15821135) has the molecular formula C42H40O5P2 and a molecular weight of 686.72 g/mol. Its IUPAC name is 1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene
PubChem CID15821135
Molecular FormulaC42H40O5P2
Molecular Weight686.72 g/mol
Exact Mass686.24
IUPAC Name1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene
SMILESO=P(Cc1ccccc1OCCOCCOc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H40O5P2/c43-48(37-19-5-1-6-20-37,38-21-7-2-8-22-38)33-35-17-13-15-27-41(35)46-31-29-45-30-32-47-42-28-16-14-18-36(42)34-49(44,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-28H,29-34H2
InChIKeyCPCVCIZORAEBDY-UHFFFAOYSA-N
XLogP8.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.72
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene
CID 154879894
[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid
CID 3354156
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene
CID 3107593
1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene
CID 87175437
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
[2-methoxyethoxymethyl(phenyl)phosphoryl]benzene
CID 4116161
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-(diphenylphosphorylmethyl)-N-methylbenzenecarbothioamide
CID 10861451
2-(diphenylphosphorylmethoxy)phenol
CID 13354416

Frequently Asked Questions

What is the IUPAC name of 1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene?
The IUPAC name of 1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene (CID 15821135) is 1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene?
The canonical SMILES for 1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene is O=P(Cc1ccccc1OCCOCCOc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene?
The InChIKey is CPCVCIZORAEBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40O5P2/c43-48(37-19-5-1-6-20-37,38-21-7-2-8-22-38)33-35-17-13-15-27-41(35)46-31-29-45-30-32-47-42-28-16-14-18-36(42)34-49(44,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-28H,29-34H2.
What are the key properties of 1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene?
1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene has a molecular weight of 686.72 g/mol, XLogP of 8.19, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 15821135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).