2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol

C19H22N2O6 — CID 67384790

IUPAC2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol
SMILESO=[N+]([O-])c1ccc(C=Cc2ccc(OCCOCCOCCO)nc2)cc1
InChIInChI=1S/C19H22N2O6/c22-9-10-25-11-12-26-13-14-27-19-8-5-17(15-20-19)2-1-16-3-6-18(7-4-16)21(23)24/h1-8,15,22H,9-14H2
InChIKeyBRHSFMBLRMVBBH-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.56
Rot. Bonds12

About 2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol

2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol (PubChem CID 67384790) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol
PubChem CID67384790
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol
SMILESO=[N+]([O-])c1ccc(C=Cc2ccc(OCCOCCOCCO)nc2)cc1
InChIInChI=1S/C19H22N2O6/c22-9-10-25-11-12-26-13-14-27-19-8-5-17(15-20-19)2-1-16-3-6-18(7-4-16)21(23)24/h1-8,15,22H,9-14H2
InChIKeyBRHSFMBLRMVBBH-UHFFFAOYSA-N
XLogP2.56
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 14691830
2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol
CID 101005092
2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethylcarbamic acid
CID 155074556
2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 22975886
2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol
CID 15221740
2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol
CID 56849565
3-[2-(2-hydroxyethoxy)ethoxy]-4-nitrobenzaldehyde
CID 62114322
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol
CID 15326147
2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15326148
[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid
CID 140869715
5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine
CID 44552298

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol (CID 67384790) is 2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol is O=[N+]([O-])c1ccc(C=Cc2ccc(OCCOCCOCCO)nc2)cc1.
What is the InChIKey of 2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol?
The InChIKey is BRHSFMBLRMVBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c22-9-10-25-11-12-26-13-14-27-19-8-5-17(15-20-19)2-1-16-3-6-18(7-4-16)21(23)24/h1-8,15,22H,9-14H2.
What are the key properties of 2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol has a molecular weight of 374.39 g/mol, XLogP of 2.56, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 67384790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).