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

C15H14FNO3 — CID 103432395

IUPAC1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
SMILESCc1cccc(OCc2cc(F)cc([N+](=O)[O-])c2)c1C
InChIInChI=1S/C15H14FNO3/c1-10-4-3-5-15(11(10)2)20-9-12-6-13(16)8-14(7-12)17(18)19/h3-8H,9H2,1-2H3
InChIKeyUCBIIVCOHSJPQR-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.93
Rot. Bonds4

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

1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene (PubChem CID 103432395) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
PubChem CID103432395
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
SMILESCc1cccc(OCc2cc(F)cc([N+](=O)[O-])c2)c1C
InChIInChI=1S/C15H14FNO3/c1-10-4-3-5-15(11(10)2)20-9-12-6-13(16)8-14(7-12)17(18)19/h3-8H,9H2,1-2H3
InChIKeyUCBIIVCOHSJPQR-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-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
CID 107662043
4-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylaniline
CID 115981173
2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 115980639
N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylaniline
CID 115980289
[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 115980216
3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 115980652
1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432348
4-(bromomethyl)-2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]benzene
CID 107691619
1-[(4-bromo-3-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 115557951
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434
3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine
CID 112649453
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzonitrile
CID 107670429

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene?
The IUPAC name of 1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene (CID 103432395) is 1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene?
The canonical SMILES for 1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene is Cc1cccc(OCc2cc(F)cc([N+](=O)[O-])c2)c1C.
What is the InChIKey of 1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene?
The InChIKey is UCBIIVCOHSJPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-10-4-3-5-15(11(10)2)20-9-12-6-13(16)8-14(7-12)17(18)19/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene?
1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene 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 1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene is sourced from PubChem (CID 103432395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).