2-(4-nitrophenoxy)ethyl formate

C9H9NO5 — CID 91696305

IUPAC2-(4-nitrophenoxy)ethyl formate
SMILESO=COCCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9NO5/c11-7-14-5-6-15-9-3-1-8(2-4-9)10(12)13/h1-4,7H,5-6H2
InChIKeyVICWPMCACVBXQW-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.15
Rot. Bonds6

About 2-(4-nitrophenoxy)ethyl formate

2-(4-nitrophenoxy)ethyl formate (PubChem CID 91696305) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)ethyl formate.

Molecular Properties

Compound Name2-(4-nitrophenoxy)ethyl formate
PubChem CID91696305
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name2-(4-nitrophenoxy)ethyl formate
SMILESO=COCCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9NO5/c11-7-14-5-6-15-9-3-1-8(2-4-9)10(12)13/h1-4,7H,5-6H2
InChIKeyVICWPMCACVBXQW-UHFFFAOYSA-N
XLogP1.15
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-nitrophenoxy)ethyl formate 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

1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 170563879
2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 14691830
3-(4-nitrophenoxy)propanoate
CID 6993075
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
2-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]ethanamine
CID 142384195
formic acid;1-hexoxy-4-nitrobenzene
CID 171658812
1-nitro-4-octadecoxybenzene
CID 4258205
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
1-(2-cyclopropylethoxy)-4-nitrobenzene
CID 67453725
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)ethyl formate?
The IUPAC name of 2-(4-nitrophenoxy)ethyl formate (CID 91696305) is 2-(4-nitrophenoxy)ethyl formate.
What is the SMILES notation for 2-(4-nitrophenoxy)ethyl formate?
The canonical SMILES for 2-(4-nitrophenoxy)ethyl formate is O=COCCOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)ethyl formate?
The InChIKey is VICWPMCACVBXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c11-7-14-5-6-15-9-3-1-8(2-4-9)10(12)13/h1-4,7H,5-6H2.
What are the key properties of 2-(4-nitrophenoxy)ethyl formate?
2-(4-nitrophenoxy)ethyl formate has a molecular weight of 211.17 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)ethyl formate is sourced from PubChem (CID 91696305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).