2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane

C10H11NO5 — CID 16784964

IUPAC2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane
SMILESCOc1ccc([N+](=O)[O-])cc1OCC1CO1
InChIInChI=1S/C10H11NO5/c1-14-9-3-2-7(11(12)13)4-10(9)16-6-8-5-15-8/h2-4,8H,5-6H2,1H3
InChIKeyOJZUZVVZZONWBK-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.38
Rot. Bonds5

About 2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane

2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane (PubChem CID 16784964) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane
PubChem CID16784964
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane
SMILESCOc1ccc([N+](=O)[O-])cc1OCC1CO1
InChIInChI=1S/C10H11NO5/c1-14-9-3-2-7(11(12)13)4-10(9)16-6-8-5-15-8/h2-4,8H,5-6H2,1H3
InChIKeyOJZUZVVZZONWBK-UHFFFAOYSA-N
XLogP1.38
TPSA74.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol
CID 124583761
3-[(2-methoxy-5-nitrophenoxy)methyl]azetidine
CID 112745306
4-nitro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 22135516
2-[[2-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-nitrophenoxy]methyl]oxirane
CID 145484381
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
1-tert-butyl-4-[(2-methoxy-5-nitrophenoxy)methyl]piperidine
CID 146317632
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]azetidine
CID 107391611
3-(2-methoxy-5-nitrophenoxy)propanal
CID 63038722
4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine
CID 59815628
1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 115648605

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane?
The IUPAC name of 2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane (CID 16784964) is 2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane?
The canonical SMILES for 2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane is COc1ccc([N+](=O)[O-])cc1OCC1CO1.
What is the InChIKey of 2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane?
The InChIKey is OJZUZVVZZONWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-14-9-3-2-7(11(12)13)4-10(9)16-6-8-5-15-8/h2-4,8H,5-6H2,1H3.
What are the key properties of 2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane?
2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane has a molecular weight of 225.20 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane is sourced from PubChem (CID 16784964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).