1-(iodomethoxy)-4-nitrobenzene

C7H6INO3 — CID 70647757

IUPAC1-(iodomethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCI)cc1
InChIInChI=1S/C7H6INO3/c8-5-12-7-3-1-6(2-4-7)9(10)11/h1-4H,5H2
InChIKeyRFTOJYBRYTUVDP-UHFFFAOYSA-N
MW279.03 g/mol
LogP2.37
Rot. Bonds3

About 1-(iodomethoxy)-4-nitrobenzene

1-(iodomethoxy)-4-nitrobenzene (PubChem CID 70647757) has the molecular formula C7H6INO3 and a molecular weight of 279.03 g/mol. Its IUPAC name is 1-(iodomethoxy)-4-nitrobenzene.

Molecular Properties

Compound Name1-(iodomethoxy)-4-nitrobenzene
PubChem CID70647757
Molecular FormulaC7H6INO3
Molecular Weight279.03 g/mol
Exact Mass278.94
IUPAC Name1-(iodomethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCI)cc1
InChIInChI=1S/C7H6INO3/c8-5-12-7-3-1-6(2-4-7)9(10)11/h1-4H,5H2
InChIKeyRFTOJYBRYTUVDP-UHFFFAOYSA-N
XLogP2.37
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.03
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(iodomethoxy)-4-nitrobenzene 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-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
N-methyl-1-(4-nitrophenoxy)methanamine
CID 58708535
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 170563879
3-(4-nitrophenoxy)propane-1-sulfonic acid
CID 3017110
3-(4-nitrophenoxy)propanoate
CID 6993075
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
1-(2-chloro-2,2-difluoroethoxy)-4-nitrobenzene
CID 134985893
1-nitro-4-octadecoxybenzene
CID 4258205
2-(4-nitrophenoxy)ethyl formate
CID 91696305
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
CID 153008841
CID 153008841

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethoxy)-4-nitrobenzene?
The IUPAC name of 1-(iodomethoxy)-4-nitrobenzene (CID 70647757) is 1-(iodomethoxy)-4-nitrobenzene.
What is the SMILES notation for 1-(iodomethoxy)-4-nitrobenzene?
The canonical SMILES for 1-(iodomethoxy)-4-nitrobenzene is O=[N+]([O-])c1ccc(OCI)cc1.
What is the InChIKey of 1-(iodomethoxy)-4-nitrobenzene?
The InChIKey is RFTOJYBRYTUVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO3/c8-5-12-7-3-1-6(2-4-7)9(10)11/h1-4H,5H2.
What are the key properties of 1-(iodomethoxy)-4-nitrobenzene?
1-(iodomethoxy)-4-nitrobenzene has a molecular weight of 279.03 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethoxy)-4-nitrobenzene is sourced from PubChem (CID 70647757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).