2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol

C15H15NO5 — CID 110891831

IUPAC2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
SMILESO=[N+]([O-])c1ccccc1COc1ccccc1OCCO
InChIInChI=1S/C15H15NO5/c17-9-10-20-14-7-3-4-8-15(14)21-11-12-5-1-2-6-13(12)16(18)19/h1-8,17H,9-11H2
InChIKeyAMWSKUWWNVMQBF-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.54
Rot. Bonds7

About 2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol

2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol (PubChem CID 110891831) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
PubChem CID110891831
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
SMILESO=[N+]([O-])c1ccccc1COc1ccccc1OCCO
InChIInChI=1S/C15H15NO5/c17-9-10-20-14-7-3-4-8-15(14)21-11-12-5-1-2-6-13(12)16(18)19/h1-8,17H,9-11H2
InChIKeyAMWSKUWWNVMQBF-UHFFFAOYSA-N
XLogP2.54
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891830
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde
CID 11500210
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
(1S)-1-[4-fluoro-2-[(2-nitrophenyl)methoxy]phenyl]ethanol
CID 63366105
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
1-[2-[2-(2-nitrophenyl)ethoxy]phenyl]ethanol
CID 63062121
(2-nitrophenyl)methanol
CID 11923
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol
CID 144785084
4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde
CID 158803973

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol?
The IUPAC name of 2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol (CID 110891831) is 2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol?
The canonical SMILES for 2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol is O=[N+]([O-])c1ccccc1COc1ccccc1OCCO.
What is the InChIKey of 2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol?
The InChIKey is AMWSKUWWNVMQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c17-9-10-20-14-7-3-4-8-15(14)21-11-12-5-1-2-6-13(12)16(18)19/h1-8,17H,9-11H2.
What are the key properties of 2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol?
2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol has a molecular weight of 289.29 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol is sourced from PubChem (CID 110891831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).