methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate

C10H10N2O7 — CID 10355750

IUPACmethyl 2-(5-methoxy-2,4-dinitrophenyl)acetate
SMILESCOC(=O)Cc1cc(OC)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O7/c1-18-9-3-6(4-10(13)19-2)7(11(14)15)5-8(9)12(16)17/h3,5H,4H2,1-2H3
InChIKeyVUZKGNRXESYCLF-UHFFFAOYSA-N
MW270.20 g/mol
LogP1.23
Rot. Bonds5

About methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate

methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate (PubChem CID 10355750) has the molecular formula C10H10N2O7 and a molecular weight of 270.20 g/mol. Its IUPAC name is methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-2,4-dinitrophenyl)acetate
PubChem CID10355750
Molecular FormulaC10H10N2O7
Molecular Weight270.20 g/mol
Exact Mass270.05
IUPAC Namemethyl 2-(5-methoxy-2,4-dinitrophenyl)acetate
SMILESCOC(=O)Cc1cc(OC)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O7/c1-18-9-3-6(4-10(13)19-2)7(11(14)15)5-8(9)12(16)17/h3,5H,4H2,1-2H3
InChIKeyVUZKGNRXESYCLF-UHFFFAOYSA-N
XLogP1.23
TPSA121.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate?
The IUPAC name of methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate (CID 10355750) is methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate.
What is the SMILES notation for methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate?
The canonical SMILES for methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate is COC(=O)Cc1cc(OC)c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate?
The InChIKey is VUZKGNRXESYCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O7/c1-18-9-3-6(4-10(13)19-2)7(11(14)15)5-8(9)12(16)17/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate?
methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate has a molecular weight of 270.20 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-2,4-dinitrophenyl)acetate is sourced from PubChem (CID 10355750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).