(4,5-dimethoxy-2-nitrophenyl)methyl formate

C10H11NO6 — CID 22237785

IUPAC(4,5-dimethoxy-2-nitrophenyl)methyl formate
SMILESCOc1cc(COC=O)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H11NO6/c1-15-9-3-7(5-17-6-12)8(11(13)14)4-10(9)16-2/h3-4,6H,5H2,1-2H3
InChIKeySTZQWLRSQLFEED-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.28
Rot. Bonds6

About (4,5-dimethoxy-2-nitrophenyl)methyl formate

(4,5-dimethoxy-2-nitrophenyl)methyl formate (PubChem CID 22237785) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is (4,5-dimethoxy-2-nitrophenyl)methyl formate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-nitrophenyl)methyl formate
PubChem CID22237785
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name(4,5-dimethoxy-2-nitrophenyl)methyl formate
SMILESCOc1cc(COC=O)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H11NO6/c1-15-9-3-7(5-17-6-12)8(11(13)14)4-10(9)16-2/h3-4,6H,5H2,1-2H3
InChIKeySTZQWLRSQLFEED-UHFFFAOYSA-N
XLogP1.28
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4,5-dimethoxy-2-nitrophenyl)methyl formate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-nitrophenyl)methyl formate?
The IUPAC name of (4,5-dimethoxy-2-nitrophenyl)methyl formate (CID 22237785) is (4,5-dimethoxy-2-nitrophenyl)methyl formate.
What is the SMILES notation for (4,5-dimethoxy-2-nitrophenyl)methyl formate?
The canonical SMILES for (4,5-dimethoxy-2-nitrophenyl)methyl formate is COc1cc(COC=O)c([N+](=O)[O-])cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-nitrophenyl)methyl formate?
The InChIKey is STZQWLRSQLFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-15-9-3-7(5-17-6-12)8(11(13)14)4-10(9)16-2/h3-4,6H,5H2,1-2H3.
What are the key properties of (4,5-dimethoxy-2-nitrophenyl)methyl formate?
(4,5-dimethoxy-2-nitrophenyl)methyl formate has a molecular weight of 241.20 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-nitrophenyl)methyl formate is sourced from PubChem (CID 22237785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).