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

C16H13FO3 — CID 117175918

IUPAC5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
SMILESCOc1ccccc1OCc1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13FO3/c1-18-15-4-2-3-5-16(15)19-10-13-9-11-8-12(17)6-7-14(11)20-13/h2-9H,10H2,1H3
InChIKeyBIMKMOZWSZQMMI-UHFFFAOYSA-N
MW272.28 g/mol
LogP4.16
Rot. Bonds4

About 5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran

5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran (PubChem CID 117175918) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
PubChem CID117175918
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
SMILESCOc1ccccc1OCc1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13FO3/c1-18-15-4-2-3-5-16(15)19-10-13-9-11-8-12(17)6-7-14(11)20-13/h2-9H,10H2,1H3
InChIKeyBIMKMOZWSZQMMI-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

6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117179334
4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117172297
5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117175998
[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117182688
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine
CID 39111936
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole
CID 117180685
6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
CID 71296316
2-[(2-methoxyphenyl)methyl]-1-benzofuran
CID 21435281

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
The IUPAC name of 5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran (CID 117175918) is 5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran is COc1ccccc1OCc1cc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
The InChIKey is BIMKMOZWSZQMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-18-15-4-2-3-5-16(15)19-10-13-9-11-8-12(17)6-7-14(11)20-13/h2-9H,10H2,1H3.
What are the key properties of 5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
5-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 5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117175918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).