2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran

C15H12BrFO2 — CID 81332587

IUPAC2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1cc(Br)cc(OCC2Cc3ccccc3O2)c1
InChIInChI=1S/C15H12BrFO2/c16-11-6-12(17)8-13(7-11)18-9-14-5-10-3-1-2-4-15(10)19-14/h1-4,6-8,14H,5,9H2
InChIKeyPYEQXUIDYNETHZ-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.97
Rot. Bonds3

About 2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran

2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 81332587) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
PubChem CID81332587
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1cc(Br)cc(OCC2Cc3ccccc3O2)c1
InChIInChI=1S/C15H12BrFO2/c16-11-6-12(17)8-13(7-11)18-9-14-5-10-3-1-2-4-15(10)19-14/h1-4,6-8,14H,5,9H2
InChIKeyPYEQXUIDYNETHZ-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107718132
[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 66348957
[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
CID 66364175
2-[(3-bromo-5-fluorophenoxy)methyl]oxolane
CID 81331452
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66363776
5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzoic acid
CID 66364945
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
(2S)-2-[(3,5-dimethylphenoxy)methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 141114126
(1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine
CID 66348382
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
CID 66365332

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran (CID 81332587) is 2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran is Fc1cc(Br)cc(OCC2Cc3ccccc3O2)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is PYEQXUIDYNETHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c16-11-6-12(17)8-13(7-11)18-9-14-5-10-3-1-2-4-15(10)19-14/h1-4,6-8,14H,5,9H2.
What are the key properties of 2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran?
2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 323.16 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 81332587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).