2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene

C14H12FNO3 — CID 107348619

IUPAC2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
SMILESCc1cccc(OCc2cccc([N+](=O)[O-])c2F)c1
InChIInChI=1S/C14H12FNO3/c1-10-4-2-6-12(8-10)19-9-11-5-3-7-13(14(11)15)16(17)18/h2-8H,9H2,1H3
InChIKeyGBZWGCAYZGGVTR-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.62
Rot. Bonds4

About 2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene

2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene (PubChem CID 107348619) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene.

Molecular Properties

Compound Name2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
PubChem CID107348619
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
SMILESCc1cccc(OCc2cccc([N+](=O)[O-])c2F)c1
InChIInChI=1S/C14H12FNO3/c1-10-4-2-6-12(8-10)19-9-11-5-3-7-13(14(11)15)16(17)18/h2-8H,9H2,1H3
InChIKeyGBZWGCAYZGGVTR-UHFFFAOYSA-N
XLogP3.62
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.62
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

N-methyl-2-[(3-methylphenoxy)methyl]-6-nitroaniline
CID 107352140
[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353306
[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol
CID 107349865
2-fluoro-1-[(4-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348730
1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone
CID 107349549
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol
CID 107349867
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene
CID 107348680
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene?
The IUPAC name of 2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene (CID 107348619) is 2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene.
What is the SMILES notation for 2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene?
The canonical SMILES for 2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene is Cc1cccc(OCc2cccc([N+](=O)[O-])c2F)c1.
What is the InChIKey of 2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene?
The InChIKey is GBZWGCAYZGGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-10-4-2-6-12(8-10)19-9-11-5-3-7-13(14(11)15)16(17)18/h2-8H,9H2,1H3.
What are the key properties of 2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene?
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene has a molecular weight of 261.25 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene is sourced from PubChem (CID 107348619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).