4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran

C16H13FO2 — CID 117172308

IUPAC4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
SMILESCc1cccc(OCc2cc3c(F)cccc3o2)c1
InChIInChI=1S/C16H13FO2/c1-11-4-2-5-12(8-11)18-10-13-9-14-15(17)6-3-7-16(14)19-13/h2-9H,10H2,1H3
InChIKeyGLDRUCOSZDXIAB-UHFFFAOYSA-N
MW256.28 g/mol
LogP4.46
Rot. Bonds3

About 4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran

4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran (PubChem CID 117172308) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
PubChem CID117172308
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
SMILESCc1cccc(OCc2cc3c(F)cccc3o2)c1
InChIInChI=1S/C16H13FO2/c1-11-4-2-5-12(8-11)18-10-13-9-14-15(17)6-3-7-16(14)19-13/h2-9H,10H2,1H3
InChIKeyGLDRUCOSZDXIAB-UHFFFAOYSA-N
XLogP4.46
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluoro-1-benzofuran-2-yl)methoxy]pyridine
CID 117172370
4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117172297
5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117175928
2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran
CID 117184713
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 117192249
7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117186365
[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117172174
[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62452377
2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 43477174
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran?
The IUPAC name of 4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran (CID 117172308) is 4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran is Cc1cccc(OCc2cc3c(F)cccc3o2)c1.
What is the InChIKey of 4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran?
The InChIKey is GLDRUCOSZDXIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-11-4-2-5-12(8-11)18-10-13-9-14-15(17)6-3-7-16(14)19-13/h2-9H,10H2,1H3.
What are the key properties of 4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran?
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran has a molecular weight of 256.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117172308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).