2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol

C28H32N2O6 — CID 177488836

IUPAC2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOc1ccc(CCOc2cc3cccnc3c3ncccc23)cc1
InChIInChI=1S/C28H32N2O6/c31-12-14-32-15-16-33-17-18-34-19-20-35-24-7-5-22(6-8-24)9-13-36-26-21-23-3-1-10-29-27(23)28-25(26)4-2-11-30-28/h1-8,10-11,21,31H,9,12-20H2
InChIKeyPUTSWXZYCLUEGA-UHFFFAOYSA-N
MW492.57 g/mol
LogP3.83
Rot. Bonds16

About 2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 177488836) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID177488836
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC Name2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOc1ccc(CCOc2cc3cccnc3c3ncccc23)cc1
InChIInChI=1S/C28H32N2O6/c31-12-14-32-15-16-33-17-18-34-19-20-35-24-7-5-22(6-8-24)9-13-36-26-21-23-3-1-10-29-27(23)28-25(26)4-2-11-30-28/h1-8,10-11,21,31H,9,12-20H2
InChIKeyPUTSWXZYCLUEGA-UHFFFAOYSA-N
XLogP3.83
TPSA92.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 177488836) is 2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOc1ccc(CCOc2cc3cccnc3c3ncccc23)cc1.
What is the InChIKey of 2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is PUTSWXZYCLUEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c31-12-14-32-15-16-33-17-18-34-19-20-35-24-7-5-22(6-8-24)9-13-36-26-21-23-3-1-10-29-27(23)28-25(26)4-2-11-30-28/h1-8,10-11,21,31H,9,12-20H2.
What are the key properties of 2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 492.57 g/mol, XLogP of 3.83, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 177488836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).