3-[(4-chloro-2-nitrophenyl)methoxy]azetidine

C10H11ClN2O3 — CID 63106816

IUPAC3-[(4-chloro-2-nitrophenyl)methoxy]azetidine
SMILESO=[N+]([O-])c1cc(Cl)ccc1COC1CNC1
InChIInChI=1S/C10H11ClN2O3/c11-8-2-1-7(10(3-8)13(14)15)6-16-9-4-12-5-9/h1-3,9,12H,4-6H2
InChIKeyRRXMVKBOUGESOZ-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.74
Rot. Bonds4

About 3-[(4-chloro-2-nitrophenyl)methoxy]azetidine

3-[(4-chloro-2-nitrophenyl)methoxy]azetidine (PubChem CID 63106816) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 3-[(4-chloro-2-nitrophenyl)methoxy]azetidine.

Molecular Properties

Compound Name3-[(4-chloro-2-nitrophenyl)methoxy]azetidine
PubChem CID63106816
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name3-[(4-chloro-2-nitrophenyl)methoxy]azetidine
SMILESO=[N+]([O-])c1cc(Cl)ccc1COC1CNC1
InChIInChI=1S/C10H11ClN2O3/c11-8-2-1-7(10(3-8)13(14)15)6-16-9-4-12-5-9/h1-3,9,12H,4-6H2
InChIKeyRRXMVKBOUGESOZ-UHFFFAOYSA-N
XLogP1.74
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[(5-chloro-2-nitrophenyl)methoxy]azetidine
CID 79580917
3-[(4-chloro-2-nitrophenyl)methoxy]cyclohexan-1-amine
CID 79464860
4-chloro-1-(2-methylpropoxymethyl)-2-nitrobenzene
CID 91693582
bis[(4-chloro-2-nitrophenyl)methyl] butanedioate
CID 91725719
3-[(4-chloro-2-nitrophenyl)methoxy]propan-1-amine
CID 62344232
3-[(2-chloro-4-nitrophenyl)methoxy]pyrrolidine
CID 62327911
1-(butoxymethyl)-4-chloro-2-nitrobenzene
CID 91725296
4-[(5-chloro-2-nitrophenyl)methoxy]cyclohexane-1-carboxylic acid
CID 114451328
1-(6-bromohexyl)-4-chloro-2-nitrobenzene
CID 10734509
4-[(2-nitrophenyl)methoxy]piperidine
CID 43346289
4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde
CID 60722601
[4-[(4-chloro-2-nitrophenyl)methoxy]phenyl]methanamine
CID 62100063

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-nitrophenyl)methoxy]azetidine?
The IUPAC name of 3-[(4-chloro-2-nitrophenyl)methoxy]azetidine (CID 63106816) is 3-[(4-chloro-2-nitrophenyl)methoxy]azetidine.
What is the SMILES notation for 3-[(4-chloro-2-nitrophenyl)methoxy]azetidine?
The canonical SMILES for 3-[(4-chloro-2-nitrophenyl)methoxy]azetidine is O=[N+]([O-])c1cc(Cl)ccc1COC1CNC1.
What is the InChIKey of 3-[(4-chloro-2-nitrophenyl)methoxy]azetidine?
The InChIKey is RRXMVKBOUGESOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-8-2-1-7(10(3-8)13(14)15)6-16-9-4-12-5-9/h1-3,9,12H,4-6H2.
What are the key properties of 3-[(4-chloro-2-nitrophenyl)methoxy]azetidine?
3-[(4-chloro-2-nitrophenyl)methoxy]azetidine has a molecular weight of 242.66 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-nitrophenyl)methoxy]azetidine is sourced from PubChem (CID 63106816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).