4-[fluoro(phenoxy)methyl]-1-benzofuran

C15H11FO2 — CID 174705409

IUPAC4-[fluoro(phenoxy)methyl]-1-benzofuran
SMILESFC(Oc1ccccc1)c1cccc2occc12
InChIInChI=1S/C15H11FO2/c16-15(18-11-5-2-1-3-6-11)13-7-4-8-14-12(13)9-10-17-14/h1-10,15H
InChIKeyXLRYZXSVVMPFDO-UHFFFAOYSA-N
MW242.25 g/mol
LogP4.48
Rot. Bonds3

About 4-[fluoro(phenoxy)methyl]-1-benzofuran

4-[fluoro(phenoxy)methyl]-1-benzofuran (PubChem CID 174705409) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-[fluoro(phenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name4-[fluoro(phenoxy)methyl]-1-benzofuran
PubChem CID174705409
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name4-[fluoro(phenoxy)methyl]-1-benzofuran
SMILESFC(Oc1ccccc1)c1cccc2occc12
InChIInChI=1S/C15H11FO2/c16-15(18-11-5-2-1-3-6-11)13-7-4-8-14-12(13)9-10-17-14/h1-10,15H
InChIKeyXLRYZXSVVMPFDO-UHFFFAOYSA-N
XLogP4.48
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(phenoxy)methyl]-1-benzofuran?
The IUPAC name of 4-[fluoro(phenoxy)methyl]-1-benzofuran (CID 174705409) is 4-[fluoro(phenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 4-[fluoro(phenoxy)methyl]-1-benzofuran?
The canonical SMILES for 4-[fluoro(phenoxy)methyl]-1-benzofuran is FC(Oc1ccccc1)c1cccc2occc12.
What is the InChIKey of 4-[fluoro(phenoxy)methyl]-1-benzofuran?
The InChIKey is XLRYZXSVVMPFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c16-15(18-11-5-2-1-3-6-11)13-7-4-8-14-12(13)9-10-17-14/h1-10,15H.
What are the key properties of 4-[fluoro(phenoxy)methyl]-1-benzofuran?
4-[fluoro(phenoxy)methyl]-1-benzofuran has a molecular weight of 242.25 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(phenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 174705409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).