(2R)-2-(4-nitrophenoxy)oxane

C11H13NO4 — CID 101172898

IUPAC(2R)-2-(4-nitrophenoxy)oxane
SMILESO=[N+]([O-])c1ccc(O[C@@H]2CCCCO2)cc1
InChIInChI=1S/C11H13NO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11H,1-3,8H2/t11-/m1/s1
InChIKeyFCIBEQMWPFEHGQ-LLVKDONJSA-N
MW223.23 g/mol
LogP2.50
Rot. Bonds3

About (2R)-2-(4-nitrophenoxy)oxane

(2R)-2-(4-nitrophenoxy)oxane (PubChem CID 101172898) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2R)-2-(4-nitrophenoxy)oxane.

Molecular Properties

Compound Name(2R)-2-(4-nitrophenoxy)oxane
PubChem CID101172898
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2R)-2-(4-nitrophenoxy)oxane
SMILESO=[N+]([O-])c1ccc(O[C@@H]2CCCCO2)cc1
InChIInChI=1S/C11H13NO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11H,1-3,8H2/t11-/m1/s1
InChIKeyFCIBEQMWPFEHGQ-LLVKDONJSA-N
XLogP2.50
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 ≤ 52.50
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

2-(3,5-dinitrophenoxy)oxane
CID 71368751
2-[4-[(Z)-1-(4-nitrophenyl)-1-[4-(oxan-2-yloxy)phenyl]but-1-en-2-yl]phenoxy]oxane
CID 11526597
2-[4-(4-nitrophenoxy)butoxy]oxane
CID 86179087
1-cyclopentyloxy-4-nitrobenzene
CID 19616619
4-(oxan-2-yloxy)benzoic acid
CID 11183645
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
1,5-bis(4-nitrophenoxy)cyclooctane
CID 9437151
lithium 2-(phenoxy)oxane
CID 22133362
4-(4-nitrophenoxy)oxane
CID 118705229
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-nitrophenoxy)oxane?
The IUPAC name of (2R)-2-(4-nitrophenoxy)oxane (CID 101172898) is (2R)-2-(4-nitrophenoxy)oxane.
What is the SMILES notation for (2R)-2-(4-nitrophenoxy)oxane?
The canonical SMILES for (2R)-2-(4-nitrophenoxy)oxane is O=[N+]([O-])c1ccc(O[C@@H]2CCCCO2)cc1.
What is the InChIKey of (2R)-2-(4-nitrophenoxy)oxane?
The InChIKey is FCIBEQMWPFEHGQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11H,1-3,8H2/t11-/m1/s1.
What are the key properties of (2R)-2-(4-nitrophenoxy)oxane?
(2R)-2-(4-nitrophenoxy)oxane has a molecular weight of 223.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-nitrophenoxy)oxane is sourced from PubChem (CID 101172898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).