(2R)-2-methyl-2-(4-nitrophenoxy)oxirane

C9H9NO4 — CID 141098468

IUPAC(2R)-2-methyl-2-(4-nitrophenoxy)oxirane
SMILESC[C@@]1(Oc2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C9H9NO4/c1-9(6-13-9)14-8-4-2-7(3-5-8)10(11)12/h2-5H,6H2,1H3/t9-/m1/s1
InChIKeyOYMWVPJRMOLVAT-SECBINFHSA-N
MW195.17 g/mol
LogP1.72
Rot. Bonds3

About (2R)-2-methyl-2-(4-nitrophenoxy)oxirane

(2R)-2-methyl-2-(4-nitrophenoxy)oxirane (PubChem CID 141098468) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2R)-2-methyl-2-(4-nitrophenoxy)oxirane.

Molecular Properties

Compound Name(2R)-2-methyl-2-(4-nitrophenoxy)oxirane
PubChem CID141098468
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name(2R)-2-methyl-2-(4-nitrophenoxy)oxirane
SMILESC[C@@]1(Oc2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C9H9NO4/c1-9(6-13-9)14-8-4-2-7(3-5-8)10(11)12/h2-5H,6H2,1H3/t9-/m1/s1
InChIKeyOYMWVPJRMOLVAT-SECBINFHSA-N
XLogP1.72
TPSA64.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.72
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-2-(4-methylphenoxy)-2-(4-nitrophenyl)oxetane
CID 14643508
2-methyl-2-(4-nitrophenoxy)adamantane
CID 12510268
(4R,6S)-4,6-dimethyl-2-(4-nitrophenoxy)-2-oxido-1,3,2-dioxaphosphinan-2-ium
CID 100982764
CID 153008841
CID 153008841
8a-(4-nitrophenoxy)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 12787828
1-nitro-4-propan-2-ylsulfanyloxybenzene
CID 163659691
acetic acid;(4-nitrophenyl) hydrogen carbonate
CID 175389451
(4-nitrophenyl) ethaneperoxoate
CID 14923215
1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone
CID 14649986
2-methyl-2-[(4-nitrophenyl)methyl]-1,3-dioxolane
CID 14086865
(2S)-2-methyl-3-(4-nitrophenoxy)oxirane
CID 87324919
5,5-dimethyl-2-(4-nitrophenyl)-1,3,2-dioxaphosphinane
CID 91045358

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(4-nitrophenoxy)oxirane?
The IUPAC name of (2R)-2-methyl-2-(4-nitrophenoxy)oxirane (CID 141098468) is (2R)-2-methyl-2-(4-nitrophenoxy)oxirane.
What is the SMILES notation for (2R)-2-methyl-2-(4-nitrophenoxy)oxirane?
The canonical SMILES for (2R)-2-methyl-2-(4-nitrophenoxy)oxirane is C[C@@]1(Oc2ccc([N+](=O)[O-])cc2)CO1.
What is the InChIKey of (2R)-2-methyl-2-(4-nitrophenoxy)oxirane?
The InChIKey is OYMWVPJRMOLVAT-SECBINFHSA-N. The full InChI is InChI=1S/C9H9NO4/c1-9(6-13-9)14-8-4-2-7(3-5-8)10(11)12/h2-5H,6H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-2-(4-nitrophenoxy)oxirane?
(2R)-2-methyl-2-(4-nitrophenoxy)oxirane has a molecular weight of 195.17 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(4-nitrophenoxy)oxirane is sourced from PubChem (CID 141098468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).