2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol

C17H27NO8 — CID 22975886

IUPAC2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESO=[N+]([O-])c1ccc(OCCCOCCOCCOCCOCCO)cc1
InChIInChI=1S/C17H27NO8/c19-6-9-23-11-13-25-15-14-24-12-10-22-7-1-8-26-17-4-2-16(3-5-17)18(20)21/h2-5,19H,1,6-15H2
InChIKeyVZYRSXDVBUCNHN-UHFFFAOYSA-N
MW373.40 g/mol
LogP1.42
Rot. Bonds17

About 2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 22975886) has the molecular formula C17H27NO8 and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID22975886
Molecular FormulaC17H27NO8
Molecular Weight373.40 g/mol
Exact Mass373.17
IUPAC Name2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESO=[N+]([O-])c1ccc(OCCCOCCOCCOCCOCCO)cc1
InChIInChI=1S/C17H27NO8/c19-6-9-23-11-13-25-15-14-24-12-10-22-7-1-8-26-17-4-2-16(3-5-17)18(20)21/h2-5,19H,1,6-15H2
InChIKeyVZYRSXDVBUCNHN-UHFFFAOYSA-N
XLogP1.42
TPSA109.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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
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-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 170563879
2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol
CID 15221740
1-nitro-4-(3-phenylmethoxypropoxy)benzene
CID 15012606
2-hydroxyethyl-[4-(4-nitrophenoxy)butyl]azanium
CID 2249712
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
1-nitro-4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 171646680
3-(4-nitrophenoxy)propanoate
CID 6993075
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
3-(4-nitrophenoxy)propane-1-sulfonic acid
CID 3017110

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 22975886) is 2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol is O=[N+]([O-])c1ccc(OCCCOCCOCCOCCOCCO)cc1.
What is the InChIKey of 2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is VZYRSXDVBUCNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO8/c19-6-9-23-11-13-25-15-14-24-12-10-22-7-1-8-26-17-4-2-16(3-5-17)18(20)21/h2-5,19H,1,6-15H2.
What are the key properties of 2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 373.40 g/mol, XLogP of 1.42, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 22975886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).