2-(3-methoxyazetidin-1-yl)-6-nitrophenol

C10H12N2O4 — CID 174174487

IUPAC2-(3-methoxyazetidin-1-yl)-6-nitrophenol
SMILESCOC1CN(c2cccc([N+](=O)[O-])c2O)C1
InChIInChI=1S/C10H12N2O4/c1-16-7-5-11(6-7)8-3-2-4-9(10(8)13)12(14)15/h2-4,7,13H,5-6H2,1H3
InChIKeyZSSTYEZAWWMMAM-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.14
Rot. Bonds3

About 2-(3-methoxyazetidin-1-yl)-6-nitrophenol

2-(3-methoxyazetidin-1-yl)-6-nitrophenol (PubChem CID 174174487) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(3-methoxyazetidin-1-yl)-6-nitrophenol.

Molecular Properties

Compound Name2-(3-methoxyazetidin-1-yl)-6-nitrophenol
PubChem CID174174487
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(3-methoxyazetidin-1-yl)-6-nitrophenol
SMILESCOC1CN(c2cccc([N+](=O)[O-])c2O)C1
InChIInChI=1S/C10H12N2O4/c1-16-7-5-11(6-7)8-3-2-4-9(10(8)13)12(14)15/h2-4,7,13H,5-6H2,1H3
InChIKeyZSSTYEZAWWMMAM-UHFFFAOYSA-N
XLogP1.14
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.14
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-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103746323
1-bromo-2-methoxy-3-nitrobenzene;2-bromo-6-nitrophenol
CID 159929831
(3R,5R)-3,5-dimethyl-1-(2-nitrophenyl)piperazine
CID 7059973
(2-hydroxy-3-nitrophenyl)boronic acid
CID 91825807
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
CID 7210197
3-[(3S)-3-methoxypiperidin-1-yl]-4-nitrobenzaldehyde
CID 155923727
3-(3,4-dimethoxypyrrolidin-1-yl)-N-methyl-2-nitroaniline
CID 103541919
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
dipotassium;1-bromo-2-methoxy-3-nitrobenzene;2-bromo-6-nitrophenol;hydride;iodomethane;oxido formate
CID 159754558
potassium 2-methoxy-3-nitrophenol
CID 67083613
(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103800253
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyazetidin-1-yl)-6-nitrophenol?
The IUPAC name of 2-(3-methoxyazetidin-1-yl)-6-nitrophenol (CID 174174487) is 2-(3-methoxyazetidin-1-yl)-6-nitrophenol.
What is the SMILES notation for 2-(3-methoxyazetidin-1-yl)-6-nitrophenol?
The canonical SMILES for 2-(3-methoxyazetidin-1-yl)-6-nitrophenol is COC1CN(c2cccc([N+](=O)[O-])c2O)C1.
What is the InChIKey of 2-(3-methoxyazetidin-1-yl)-6-nitrophenol?
The InChIKey is ZSSTYEZAWWMMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-16-7-5-11(6-7)8-3-2-4-9(10(8)13)12(14)15/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 2-(3-methoxyazetidin-1-yl)-6-nitrophenol?
2-(3-methoxyazetidin-1-yl)-6-nitrophenol has a molecular weight of 224.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyazetidin-1-yl)-6-nitrophenol is sourced from PubChem (CID 174174487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).