2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol

C11H15NO5 — CID 15221740

IUPAC2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol
SMILESO=[N+]([O-])c1ccc(COCCOCCO)cc1
InChIInChI=1S/C11H15NO5/c13-5-6-16-7-8-17-9-10-1-3-11(4-2-10)12(14)15/h1-4,13H,5-9H2
InChIKeyBEUBTWIIPZJGQP-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.12
Rot. Bonds8

About 2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol

2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol (PubChem CID 15221740) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol
PubChem CID15221740
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol
SMILESO=[N+]([O-])c1ccc(COCCOCCO)cc1
InChIInChI=1S/C11H15NO5/c13-5-6-16-7-8-17-9-10-1-3-11(4-2-10)12(14)15/h1-4,13H,5-9H2
InChIKeyBEUBTWIIPZJGQP-UHFFFAOYSA-N
XLogP1.12
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 22975886
2-[2-[2-[2-[(4-iodophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23598251
1-(ethoxymethyl)-4-nitrobenzene;N-methylmethanamine
CID 70210038
1-chloro-3-[(4-nitrophenyl)methoxy]propan-2-one
CID 21323877
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
[4-[2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethoxymethyl]phenyl]-(4-nitrophenyl)methanone
CID 58059720
(4-nitrophenyl)methoxyboronic acid
CID 11116985
1-nitro-4-(phosphorosooxymethyl)benzene
CID 58371231
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-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol
CID 67384790
1-nitro-4-(3-phenylmethoxypropoxy)benzene
CID 15012606

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol (CID 15221740) is 2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol is O=[N+]([O-])c1ccc(COCCOCCO)cc1.
What is the InChIKey of 2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol?
The InChIKey is BEUBTWIIPZJGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c13-5-6-16-7-8-17-9-10-1-3-11(4-2-10)12(14)15/h1-4,13H,5-9H2.
What are the key properties of 2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol?
2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol has a molecular weight of 241.24 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol is sourced from PubChem (CID 15221740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).