2-[1-(3-nitrophenyl)ethenoxy]ethanol

C10H11NO4 — CID 11564725

IUPAC2-[1-(3-nitrophenyl)ethenoxy]ethanol
SMILESC=C(OCCO)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H11NO4/c1-8(15-6-5-12)9-3-2-4-10(7-9)11(13)14/h2-4,7,12H,1,5-6H2
InChIKeyVOAXGUWXOUIUKY-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.57
Rot. Bonds5

About 2-[1-(3-nitrophenyl)ethenoxy]ethanol

2-[1-(3-nitrophenyl)ethenoxy]ethanol (PubChem CID 11564725) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[1-(3-nitrophenyl)ethenoxy]ethanol.

Molecular Properties

Compound Name2-[1-(3-nitrophenyl)ethenoxy]ethanol
PubChem CID11564725
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-[1-(3-nitrophenyl)ethenoxy]ethanol
SMILESC=C(OCCO)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H11NO4/c1-8(15-6-5-12)9-3-2-4-10(7-9)11(13)14/h2-4,7,12H,1,5-6H2
InChIKeyVOAXGUWXOUIUKY-UHFFFAOYSA-N
XLogP1.57
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

1-(3-nitrophenyl)ethenol
CID 12600881
2-hydroxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]-1,3-bis(3-nitrophenyl)propane-1,3-dione
CID 86743028
2-(3-nitrobenzoyl)oxyacetic acid
CID 86135249
[2-(3-nitrophenyl)-2-oxoethyl] 3,5-dinitrobenzoate
CID 21177389
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597
sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone
CID 174839141
prop-1-en-2-yl 3-nitrobenzoate
CID 11413099
2-(3-nitrophenyl)-1-phenylprop-2-en-1-one
CID 134965880
3-methylbutyl 3-nitrobenzoate
CID 14027693
3-nitrobenzoyl iodide
CID 87511250
2-chloro-1-(3-nitrophenyl)ethanone
CID 7437
methyl (1E)-N-hydroxy-3-nitrobenzenecarboximidate
CID 6516814

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-nitrophenyl)ethenoxy]ethanol?
The IUPAC name of 2-[1-(3-nitrophenyl)ethenoxy]ethanol (CID 11564725) is 2-[1-(3-nitrophenyl)ethenoxy]ethanol.
What is the SMILES notation for 2-[1-(3-nitrophenyl)ethenoxy]ethanol?
The canonical SMILES for 2-[1-(3-nitrophenyl)ethenoxy]ethanol is C=C(OCCO)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[1-(3-nitrophenyl)ethenoxy]ethanol?
The InChIKey is VOAXGUWXOUIUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-8(15-6-5-12)9-3-2-4-10(7-9)11(13)14/h2-4,7,12H,1,5-6H2.
What are the key properties of 2-[1-(3-nitrophenyl)ethenoxy]ethanol?
2-[1-(3-nitrophenyl)ethenoxy]ethanol has a molecular weight of 209.20 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-nitrophenyl)ethenoxy]ethanol is sourced from PubChem (CID 11564725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).