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

C15H14FNO3 — CID 107661881

IUPAC2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene
SMILESCc1cccc(OCCc2ccccc2[N+](=O)[O-])c1F
InChIInChI=1S/C15H14FNO3/c1-11-5-4-8-14(15(11)16)20-10-9-12-6-2-3-7-13(12)17(18)19/h2-8H,9-10H2,1H3
InChIKeyGUDGNPWKEHOVAW-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.66
Rot. Bonds5

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

2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene (PubChem CID 107661881) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene
PubChem CID107661881
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene
SMILESCc1cccc(OCCc2ccccc2[N+](=O)[O-])c1F
InChIInChI=1S/C15H14FNO3/c1-11-5-4-8-14(15(11)16)20-10-9-12-6-2-3-7-13(12)17(18)19/h2-8H,9-10H2,1H3
InChIKeyGUDGNPWKEHOVAW-UHFFFAOYSA-N
XLogP3.66
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.66
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-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
1-[2-[2-(2-nitrophenyl)ethoxy]phenyl]ethanol
CID 63062121
4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene
CID 112787536
[6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine
CID 79156356
dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane
CID 91697507
3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol
CID 144785084
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
1-[2-(4-fluorophenoxy)ethoxy]-3-methyl-2-nitrobenzene
CID 112828309
2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891830
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
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-(2-nitrophenyl)ethoxy]benzene?
The IUPAC name of 2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene (CID 107661881) is 2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene?
The canonical SMILES for 2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene is Cc1cccc(OCCc2ccccc2[N+](=O)[O-])c1F.
What is the InChIKey of 2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene?
The InChIKey is GUDGNPWKEHOVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-11-5-4-8-14(15(11)16)20-10-9-12-6-2-3-7-13(12)17(18)19/h2-8H,9-10H2,1H3.
What are the key properties of 2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene?
2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene has a molecular weight of 275.28 g/mol, XLogP of 3.66, 5 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-(2-nitrophenyl)ethoxy]benzene is sourced from PubChem (CID 107661881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).