2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene

C15H14FNO3 — CID 107662001

IUPAC2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
SMILESCc1cccc(OCc2cccc([N+](=O)[O-])c2C)c1F
InChIInChI=1S/C15H14FNO3/c1-10-5-3-8-14(15(10)16)20-9-12-6-4-7-13(11(12)2)17(18)19/h3-8H,9H2,1-2H3
InChIKeyLOSCJGLDACOYAI-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.93
Rot. Bonds4

About 2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene

2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene (PubChem CID 107662001) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
PubChem CID107662001
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
SMILESCc1cccc(OCc2cccc([N+](=O)[O-])c2C)c1F
InChIInChI=1S/C15H14FNO3/c1-10-5-3-8-14(15(10)16)20-9-12-6-4-7-13(11(12)2)17(18)19/h3-8H,9H2,1-2H3
InChIKeyLOSCJGLDACOYAI-UHFFFAOYSA-N
XLogP3.93
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene
CID 107661881
2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891830
2-fluoro-3-[(2-methyl-3-nitrophenoxy)methyl]benzonitrile
CID 103886701
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine
CID 114318299
3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol
CID 144785084
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
CID 103988326
2-(hydroxymethyl)-5-[(2-methyl-3-nitrophenyl)methoxy]pyran-4-one
CID 79871487
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
2-[(2-methyl-3-nitrophenoxy)methyl]benzonitrile
CID 47214179
2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene?
The IUPAC name of 2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene (CID 107662001) is 2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene?
The canonical SMILES for 2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene is Cc1cccc(OCc2cccc([N+](=O)[O-])c2C)c1F.
What is the InChIKey of 2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene?
The InChIKey is LOSCJGLDACOYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-10-5-3-8-14(15(10)16)20-9-12-6-4-7-13(11(12)2)17(18)19/h3-8H,9H2,1-2H3.
What are the key properties of 2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene?
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene has a molecular weight of 275.28 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 107662001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).