[2-(2-methoxyethoxy)phenyl]-diphenylselanium

C21H21O2Se+ — CID 139829681

IUPAC[2-(2-methoxyethoxy)phenyl]-diphenylselanium
SMILESCOCCOc1ccccc1[Se+](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2Se/c1-22-16-17-23-20-14-8-9-15-21(20)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3/q+1
InChIKeyDDQIXPHLUZTGFI-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.23
Rot. Bonds7

About [2-(2-methoxyethoxy)phenyl]-diphenylselanium

[2-(2-methoxyethoxy)phenyl]-diphenylselanium (PubChem CID 139829681) has the molecular formula C21H21O2Se+ and a molecular weight of 384.36 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)phenyl]-diphenylselanium.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)phenyl]-diphenylselanium
PubChem CID139829681
Molecular FormulaC21H21O2Se+
Molecular Weight384.36 g/mol
Exact Mass385.07
IUPAC Name[2-(2-methoxyethoxy)phenyl]-diphenylselanium
SMILESCOCCOc1ccccc1[Se+](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2Se/c1-22-16-17-23-20-14-8-9-15-21(20)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3/q+1
InChIKeyDDQIXPHLUZTGFI-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)phenyl]-diphenylselanium?
The IUPAC name of [2-(2-methoxyethoxy)phenyl]-diphenylselanium (CID 139829681) is [2-(2-methoxyethoxy)phenyl]-diphenylselanium.
What is the SMILES notation for [2-(2-methoxyethoxy)phenyl]-diphenylselanium?
The canonical SMILES for [2-(2-methoxyethoxy)phenyl]-diphenylselanium is COCCOc1ccccc1[Se+](c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-methoxyethoxy)phenyl]-diphenylselanium?
The InChIKey is DDQIXPHLUZTGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2Se/c1-22-16-17-23-20-14-8-9-15-21(20)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3/q+1.
What are the key properties of [2-(2-methoxyethoxy)phenyl]-diphenylselanium?
[2-(2-methoxyethoxy)phenyl]-diphenylselanium has a molecular weight of 384.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)phenyl]-diphenylselanium is sourced from PubChem (CID 139829681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).