4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene

C14H12FNO3 — CID 67083367

IUPAC4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene
SMILESCc1cc(OCc2ccc(F)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO3/c1-10-8-13(6-7-14(10)16(17)18)19-9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3
InChIKeyYZDWHXOMTYPWGM-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.62
Rot. Bonds4

About 4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene

4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene (PubChem CID 67083367) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene
PubChem CID67083367
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene
SMILESCc1cc(OCc2ccc(F)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO3/c1-10-8-13(6-7-14(10)16(17)18)19-9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3
InChIKeyYZDWHXOMTYPWGM-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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene (CID 67083367) is 4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene is Cc1cc(OCc2ccc(F)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene?
The InChIKey is YZDWHXOMTYPWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-10-8-13(6-7-14(10)16(17)18)19-9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene?
4-[(4-fluorophenyl)methoxy]-2-methyl-1-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 4-[(4-fluorophenyl)methoxy]-2-methyl-1-nitrobenzene is sourced from PubChem (CID 67083367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).