(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane

C10H11NO4 — CID 129386146

IUPAC(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane
SMILESO=[N+]([O-])c1ccc(COC[C@H]2CO2)cc1
InChIInChI=1S/C10H11NO4/c12-11(13)9-3-1-8(2-4-9)5-14-6-10-7-15-10/h1-4,10H,5-7H2/t10-/m0/s1
InChIKeyXKYTZUKTGVULQP-JTQLQIEISA-N
MW209.20 g/mol
LogP1.51
Rot. Bonds5

About (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane

(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane (PubChem CID 129386146) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane
PubChem CID129386146
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane
SMILESO=[N+]([O-])c1ccc(COC[C@H]2CO2)cc1
InChIInChI=1S/C10H11NO4/c12-11(13)9-3-1-8(2-4-9)5-14-6-10-7-15-10/h1-4,10H,5-7H2/t10-/m0/s1
InChIKeyXKYTZUKTGVULQP-JTQLQIEISA-N
XLogP1.51
TPSA64.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.51
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'}

Analyze (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nitrobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88773027
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
(2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane
CID 97180094
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
1-(cyclopropyloxymethyl)-4-nitrobenzene
CID 171836486
(2R,3S,4R,5R,6R)-2-[(4-nitrophenyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 71623393
(2S,3R,4R,5R)-2-fluoro-3-methoxy-4-[(4-nitrophenyl)methoxy]-5-[(4-nitrophenyl)methoxymethyl]oxolane
CID 122232233
1-(ethoxymethyl)-4-nitrobenzene;N-methylmethanamine
CID 70210038
5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
CID 134445113
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
CID 167171988
2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol
CID 15221740
5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol
CID 124583761

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane?
The IUPAC name of (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane (CID 129386146) is (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane.
What is the SMILES notation for (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane?
The canonical SMILES for (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane is O=[N+]([O-])c1ccc(COC[C@H]2CO2)cc1.
What is the InChIKey of (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane?
The InChIKey is XKYTZUKTGVULQP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11NO4/c12-11(13)9-3-1-8(2-4-9)5-14-6-10-7-15-10/h1-4,10H,5-7H2/t10-/m0/s1.
What are the key properties of (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane?
(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane has a molecular weight of 209.20 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane is sourced from PubChem (CID 129386146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).