4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran

C16H13FO3 — CID 117172297

IUPAC4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
SMILESCOc1ccccc1OCc1cc2c(F)cccc2o1
InChIInChI=1S/C16H13FO3/c1-18-15-6-2-3-7-16(15)19-10-11-9-12-13(17)5-4-8-14(12)20-11/h2-9H,10H2,1H3
InChIKeyXHJHMIHDOUWPSK-UHFFFAOYSA-N
MW272.28 g/mol
LogP4.16
Rot. Bonds4

About 4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran

4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran (PubChem CID 117172297) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
PubChem CID117172297
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
SMILESCOc1ccccc1OCc1cc2c(F)cccc2o1
InChIInChI=1S/C16H13FO3/c1-18-15-6-2-3-7-16(15)19-10-11-9-12-13(17)5-4-8-14(12)20-11/h2-9H,10H2,1H3
InChIKeyXHJHMIHDOUWPSK-UHFFFAOYSA-N
XLogP4.16
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117175918
4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117184698
6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117179334
4-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117184696
2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran
CID 117184713
2-butyl-4-fluoro-1-benzofuran
CID 11240956
2-(ethylsulfonylmethyl)-4-fluoro-1-benzofuran
CID 117172256
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117182688
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117172174
3-(4-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 117119937

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
The IUPAC name of 4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran (CID 117172297) is 4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran is COc1ccccc1OCc1cc2c(F)cccc2o1.
What is the InChIKey of 4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
The InChIKey is XHJHMIHDOUWPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-18-15-6-2-3-7-16(15)19-10-11-9-12-13(17)5-4-8-14(12)20-11/h2-9H,10H2,1H3.
What are the key properties of 4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran has a molecular weight of 272.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117172297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).