2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene

C15H14FNO4 — CID 103988326

IUPAC2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
SMILESCOc1ccc([N+](=O)[O-])cc1COc1cccc(C)c1F
InChIInChI=1S/C15H14FNO4/c1-10-4-3-5-14(15(10)16)21-9-11-8-12(17(18)19)6-7-13(11)20-2/h3-8H,9H2,1-2H3
InChIKeyIGFVMXFXPMTWEV-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.63
Rot. Bonds5

About 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene

2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene (PubChem CID 103988326) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
PubChem CID103988326
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
SMILESCOc1ccc([N+](=O)[O-])cc1COc1cccc(C)c1F
InChIInChI=1S/C15H14FNO4/c1-10-4-3-5-14(15(10)16)21-9-11-8-12(17(18)19)6-7-13(11)20-2/h3-8H,9H2,1-2H3
InChIKeyIGFVMXFXPMTWEV-UHFFFAOYSA-N
XLogP3.63
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.63
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'}

Analyze 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene 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

2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 83044556
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948
1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
CID 64853757
2-fluoro-1-[(2-methoxy-5-methylphenyl)methoxy]-3-methylbenzene
CID 107662038
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
CID 107662043
2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 114672725
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
2-[(3-bromo-5-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 81314082
1-chloro-2-[(2-methylphenoxy)methyl]-4-nitrobenzene
CID 43169195
1-[3-[(2-fluoro-4-nitrophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 46484681
2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 60656846

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene?
The IUPAC name of 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene (CID 103988326) is 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene.
What is the SMILES notation for 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene?
The canonical SMILES for 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene is COc1ccc([N+](=O)[O-])cc1COc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene?
The InChIKey is IGFVMXFXPMTWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-10-4-3-5-14(15(10)16)21-9-11-8-12(17(18)19)6-7-13(11)20-2/h3-8H,9H2,1-2H3.
What are the key properties of 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene?
2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene has a molecular weight of 291.28 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene is sourced from PubChem (CID 103988326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).