tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate

C33H45O7P — CID 70579626

IUPACtris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate
SMILESCOCCc1ccccc1CCOP(=O)(OCCc1ccccc1CCOC)OCCc1ccccc1CCOC
InChIInChI=1S/C33H45O7P/c1-35-22-16-28-10-4-7-13-31(28)19-25-38-41(34,39-26-20-32-14-8-5-11-29(32)17-23-36-2)40-27-21-33-15-9-6-12-30(33)18-24-37-3/h4-15H,16-27H2,1-3H3
InChIKeyAGCVBPUZSHJRBT-UHFFFAOYSA-N
MW584.69 g/mol
LogP6.44
Rot. Bonds21

About tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate

tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate (PubChem CID 70579626) has the molecular formula C33H45O7P and a molecular weight of 584.69 g/mol. Its IUPAC name is tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate.

Molecular Properties

Compound Nametris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate
PubChem CID70579626
Molecular FormulaC33H45O7P
Molecular Weight584.69 g/mol
Exact Mass584.29
IUPAC Nametris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate
SMILESCOCCc1ccccc1CCOP(=O)(OCCc1ccccc1CCOC)OCCc1ccccc1CCOC
InChIInChI=1S/C33H45O7P/c1-35-22-16-28-10-4-7-13-31(28)19-25-38-41(34,39-26-20-32-14-8-5-11-29(32)17-23-36-2)40-27-21-33-15-9-6-12-30(33)18-24-37-3/h4-15H,16-27H2,1-3H3
InChIKeyAGCVBPUZSHJRBT-UHFFFAOYSA-N
XLogP6.44
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.69
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-[2-(2-methoxyethyl)phenyl]butan-2-one
CID 102908193
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
2-[2-(2-methoxyethyl)phenyl]acetonitrile
CID 22645928
2-(2-methoxyethyl)benzenesulfonyl chloride
CID 102853291
1-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
2-methoxyethylbenzene
CID 19089
N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128
1-(bromomethyl)-2-(3-methoxypropyl)benzene
CID 59382353
1-[2-(2-methoxyethyl)phenyl]-3-methylsulfonylpropane-1,2,3-triol
CID 21289593

Frequently Asked Questions

What is the IUPAC name of tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate?
The IUPAC name of tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate (CID 70579626) is tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate.
What is the SMILES notation for tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate?
The canonical SMILES for tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate is COCCc1ccccc1CCOP(=O)(OCCc1ccccc1CCOC)OCCc1ccccc1CCOC.
What is the InChIKey of tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate?
The InChIKey is AGCVBPUZSHJRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45O7P/c1-35-22-16-28-10-4-7-13-31(28)19-25-38-41(34,39-26-20-32-14-8-5-11-29(32)17-23-36-2)40-27-21-33-15-9-6-12-30(33)18-24-37-3/h4-15H,16-27H2,1-3H3.
What are the key properties of tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate?
tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate has a molecular weight of 584.69 g/mol, XLogP of 6.44, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate is sourced from PubChem (CID 70579626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).