1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene

C16H14BrFO2 — CID 54064212

IUPAC1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene
SMILESFc1ccccc1OCC=CCOc1ccc(Br)cc1
InChIInChI=1S/C16H14BrFO2/c17-13-7-9-14(10-8-13)19-11-3-4-12-20-16-6-2-1-5-15(16)18/h1-10H,11-12H2
InChIKeyMBUVTFXUTXVSSS-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.60
Rot. Bonds6

About 1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene

1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene (PubChem CID 54064212) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene
PubChem CID54064212
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene
SMILESFc1ccccc1OCC=CCOc1ccc(Br)cc1
InChIInChI=1S/C16H14BrFO2/c17-13-7-9-14(10-8-13)19-11-3-4-12-20-16-6-2-1-5-15(16)18/h1-10H,11-12H2
InChIKeyMBUVTFXUTXVSSS-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 78775232
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4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
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1-bromo-4-(4-prop-2-enoxyphenyl)benzene
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CID 18113570
1-bromo-4-[1-[4-[(E)-4-bromobut-2-enoxy]phenyl]cyclopropyl]benzene
CID 18434109
N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928
N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide
CID 2491312
4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline
CID 61026671
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CID 114674078

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene?
The IUPAC name of 1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene (CID 54064212) is 1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene.
What is the SMILES notation for 1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene?
The canonical SMILES for 1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene is Fc1ccccc1OCC=CCOc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene?
The InChIKey is MBUVTFXUTXVSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c17-13-7-9-14(10-8-13)19-11-3-4-12-20-16-6-2-1-5-15(16)18/h1-10H,11-12H2.
What are the key properties of 1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene?
1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene has a molecular weight of 337.19 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene is sourced from PubChem (CID 54064212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).