2-[(3-nitrophenyl)methoxy]oxane

C12H15NO4 — CID 10955574

IUPAC2-[(3-nitrophenyl)methoxy]oxane
SMILESO=[N+]([O-])c1cccc(COC2CCCCO2)c1
InChIInChI=1S/C12H15NO4/c14-13(15)11-5-3-4-10(8-11)9-17-12-6-1-2-7-16-12/h3-5,8,12H,1-2,6-7,9H2
InChIKeyJBACDAPPZVJHNY-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.64
Rot. Bonds4

About 2-[(3-nitrophenyl)methoxy]oxane

2-[(3-nitrophenyl)methoxy]oxane (PubChem CID 10955574) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[(3-nitrophenyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(3-nitrophenyl)methoxy]oxane
PubChem CID10955574
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[(3-nitrophenyl)methoxy]oxane
SMILESO=[N+]([O-])c1cccc(COC2CCCCO2)c1
InChIInChI=1S/C12H15NO4/c14-13(15)11-5-3-4-10(8-11)9-17-12-6-1-2-7-16-12/h3-5,8,12H,1-2,6-7,9H2
InChIKeyJBACDAPPZVJHNY-UHFFFAOYSA-N
XLogP2.64
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
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

1-(cyclohexyloxymethyl)-3-nitrobenzene
CID 11264832
2-[(2-fluoro-5-nitrophenyl)methoxy]oxane
CID 22179631
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
2-[(3-methyl-2-nitrophenyl)methoxy]oxane
CID 11622955
2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10392867
methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
CID 10022408
[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825310
2-[4-(4-nitrophenoxy)butoxy]oxane
CID 86179087
3-[(3-nitrophenyl)methoxy]pyrrolidine
CID 18388249
3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline
CID 90246762

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenyl)methoxy]oxane?
The IUPAC name of 2-[(3-nitrophenyl)methoxy]oxane (CID 10955574) is 2-[(3-nitrophenyl)methoxy]oxane.
What is the SMILES notation for 2-[(3-nitrophenyl)methoxy]oxane?
The canonical SMILES for 2-[(3-nitrophenyl)methoxy]oxane is O=[N+]([O-])c1cccc(COC2CCCCO2)c1.
What is the InChIKey of 2-[(3-nitrophenyl)methoxy]oxane?
The InChIKey is JBACDAPPZVJHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-13(15)11-5-3-4-10(8-11)9-17-12-6-1-2-7-16-12/h3-5,8,12H,1-2,6-7,9H2.
What are the key properties of 2-[(3-nitrophenyl)methoxy]oxane?
2-[(3-nitrophenyl)methoxy]oxane has a molecular weight of 237.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrophenyl)methoxy]oxane is sourced from PubChem (CID 10955574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).