4-(4-nitrophenoxy)oxane

C11H13NO4 — CID 118705229

IUPAC4-(4-nitrophenoxy)oxane
SMILESO=[N+]([O-])c1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C11H13NO4/c13-12(14)9-1-3-10(4-2-9)16-11-5-7-15-8-6-11/h1-4,11H,5-8H2
InChIKeyFOPOHTFLSBVORA-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.15
Rot. Bonds3

About 4-(4-nitrophenoxy)oxane

4-(4-nitrophenoxy)oxane (PubChem CID 118705229) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(4-nitrophenoxy)oxane.

Molecular Properties

Compound Name4-(4-nitrophenoxy)oxane
PubChem CID118705229
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-(4-nitrophenoxy)oxane
SMILESO=[N+]([O-])c1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C11H13NO4/c13-12(14)9-1-3-10(4-2-9)16-11-5-7-15-8-6-11/h1-4,11H,5-8H2
InChIKeyFOPOHTFLSBVORA-UHFFFAOYSA-N
XLogP2.15
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.15
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

1,5-bis(4-nitrophenoxy)cyclooctane
CID 9437151
1-cyclopentyloxy-4-nitrobenzene
CID 19616619
1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
CID 161101282
4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401
4-(3-chloro-5-nitrophenoxy)oxane
CID 146628028
N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine
CID 176696770
4-(2-chloro-4-nitrophenoxy)oxane
CID 177179257
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
(2R)-2-(4-nitrophenoxy)oxane
CID 101172898
4-phenoxyoxane
CID 58483739
5-nitro-2-(oxan-4-yloxy)benzenesulfonamide
CID 63937462
N-methyl-1-[5-nitro-2-(oxan-4-yloxy)phenyl]methanamine
CID 63937221

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenoxy)oxane?
The IUPAC name of 4-(4-nitrophenoxy)oxane (CID 118705229) is 4-(4-nitrophenoxy)oxane.
What is the SMILES notation for 4-(4-nitrophenoxy)oxane?
The canonical SMILES for 4-(4-nitrophenoxy)oxane is O=[N+]([O-])c1ccc(OC2CCOCC2)cc1.
What is the InChIKey of 4-(4-nitrophenoxy)oxane?
The InChIKey is FOPOHTFLSBVORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-12(14)9-1-3-10(4-2-9)16-11-5-7-15-8-6-11/h1-4,11H,5-8H2.
What are the key properties of 4-(4-nitrophenoxy)oxane?
4-(4-nitrophenoxy)oxane has a molecular weight of 223.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenoxy)oxane is sourced from PubChem (CID 118705229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).