1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene

C16H16BrFO2 — CID 63933657

IUPAC1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene
SMILESCOc1ccccc1C(CBr)OCc1ccccc1F
InChIInChI=1S/C16H16BrFO2/c1-19-15-9-5-3-7-13(15)16(10-17)20-11-12-6-2-4-8-14(12)18/h2-9,16H,10-11H2,1H3
InChIKeyZTMASYAQFFFWMR-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.49
Rot. Bonds6

About 1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene

1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene (PubChem CID 63933657) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene
PubChem CID63933657
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene
SMILESCOc1ccccc1C(CBr)OCc1ccccc1F
InChIInChI=1S/C16H16BrFO2/c1-19-15-9-5-3-7-13(15)16(10-17)20-11-12-6-2-4-8-14(12)18/h2-9,16H,10-11H2,1H3
InChIKeyZTMASYAQFFFWMR-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene
CID 63933659
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934056
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
CID 154665730
1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene
CID 55035940
1-[3-bromo-2-(2-chlorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795547
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461469
1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene
CID 102984547
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
1-(2-fluoro-6-methoxyphenoxy)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 109416030
2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
CID 82831669
1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine
CID 63934055

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene?
The IUPAC name of 1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene (CID 63933657) is 1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene.
What is the SMILES notation for 1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene?
The canonical SMILES for 1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene is COc1ccccc1C(CBr)OCc1ccccc1F.
What is the InChIKey of 1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene?
The InChIKey is ZTMASYAQFFFWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-19-15-9-5-3-7-13(15)16(10-17)20-11-12-6-2-4-8-14(12)18/h2-9,16H,10-11H2,1H3.
What are the key properties of 1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene?
1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene has a molecular weight of 339.20 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene is sourced from PubChem (CID 63933657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).