5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran

C16H13FO3 — CID 117174312

IUPAC5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
SMILESCOc1ccc(OCc2coc3ccc(F)cc23)cc1
InChIInChI=1S/C16H13FO3/c1-18-13-3-5-14(6-4-13)19-9-11-10-20-16-7-2-12(17)8-15(11)16/h2-8,10H,9H2,1H3
InChIKeyKTICXDDGAOMQPS-UHFFFAOYSA-N
MW272.28 g/mol
LogP4.16
Rot. Bonds4

About 5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran

5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran (PubChem CID 117174312) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
PubChem CID117174312
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
SMILESCOc1ccc(OCc2coc3ccc(F)cc23)cc1
InChIInChI=1S/C16H13FO3/c1-18-13-3-5-14(6-4-13)19-9-11-10-20-16-7-2-12(17)8-15(11)16/h2-8,10H,9H2,1H3
InChIKeyKTICXDDGAOMQPS-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-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174314
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
CID 117185001
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
3-(chloromethyl)-5-fluoro-1-benzofuran
CID 18184314
[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine
CID 117174164
N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18860713
5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
CID 117174338
6-fluoro-3-(methoxymethyl)-1-benzofuran
CID 117177694
4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole
CID 141124812
4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
CID 117174167
3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran
CID 117174340

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran?
The IUPAC name of 5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran (CID 117174312) is 5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran is COc1ccc(OCc2coc3ccc(F)cc23)cc1.
What is the InChIKey of 5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran?
The InChIKey is KTICXDDGAOMQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-18-13-3-5-14(6-4-13)19-9-11-10-20-16-7-2-12(17)8-15(11)16/h2-8,10H,9H2,1H3.
What are the key properties of 5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran?
5-fluoro-3-[(4-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 5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117174312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).