methyl 2-(2-methyl-3-nitrophenyl)acetate

C10H11NO4 — CID 74891097

IUPACmethyl 2-(2-methyl-3-nitrophenyl)acetate
SMILESCOC(=O)Cc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H11NO4/c1-7-8(6-10(12)15-2)4-3-5-9(7)11(13)14/h3-5H,6H2,1-2H3
InChIKeyXEZMTTYVURPQBC-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.62
Rot. Bonds3

About methyl 2-(2-methyl-3-nitrophenyl)acetate

methyl 2-(2-methyl-3-nitrophenyl)acetate (PubChem CID 74891097) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 2-(2-methyl-3-nitrophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-3-nitrophenyl)acetate
PubChem CID74891097
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-(2-methyl-3-nitrophenyl)acetate
SMILESCOC(=O)Cc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H11NO4/c1-7-8(6-10(12)15-2)4-3-5-9(7)11(13)14/h3-5H,6H2,1-2H3
InChIKeyXEZMTTYVURPQBC-UHFFFAOYSA-N
XLogP1.62
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.62
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

methyl 2-(2-nitrophenyl)acetate
CID 520464
methyl 2-(2-chloro-3-nitrophenyl)acetate
CID 141051906
methyl 4-[methyl-[(2-methyl-3-nitrophenyl)methyl]amino]butanoate
CID 62013288
methyl 2-(2-amino-3-methyl-4-nitrophenyl)acetate
CID 171030711
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
methyl 2-(5-amino-2-methyl-3-nitrophenyl)acetate
CID 171030734
methyl 3-(2-methyl-3-nitroanilino)propanoate
CID 63076226
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
methyl 2-methyl-3-[(2-methyl-3-nitrophenyl)methylamino]butanoate
CID 103114865
methyl 2-(4-chloro-2-methyl-3-nitrophenyl)acetate
CID 171030192
methyl 2-(2-methyl-3-nitro-N-propan-2-ylanilino)acetate
CID 55146227

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-3-nitrophenyl)acetate?
The IUPAC name of methyl 2-(2-methyl-3-nitrophenyl)acetate (CID 74891097) is methyl 2-(2-methyl-3-nitrophenyl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-3-nitrophenyl)acetate?
The canonical SMILES for methyl 2-(2-methyl-3-nitrophenyl)acetate is COC(=O)Cc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of methyl 2-(2-methyl-3-nitrophenyl)acetate?
The InChIKey is XEZMTTYVURPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-7-8(6-10(12)15-2)4-3-5-9(7)11(13)14/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-3-nitrophenyl)acetate?
methyl 2-(2-methyl-3-nitrophenyl)acetate has a molecular weight of 209.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-3-nitrophenyl)acetate is sourced from PubChem (CID 74891097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).