1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone

C17H13FO3 — CID 141300143

IUPAC1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone
SMILESCCc1c(O)ccc(F)c1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H13FO3/c1-2-11-13(19)8-7-12(18)16(11)17(20)15-9-10-5-3-4-6-14(10)21-15/h3-9,19H,2H2,1H3
InChIKeyRYTRHXGADNMCGJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP4.07
Rot. Bonds3

About 1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone

1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone (PubChem CID 141300143) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone
PubChem CID141300143
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone
SMILESCCc1c(O)ccc(F)c1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H13FO3/c1-2-11-13(19)8-7-12(18)16(11)17(20)15-9-10-5-3-4-6-14(10)21-15/h3-9,19H,2H2,1H3
InChIKeyRYTRHXGADNMCGJ-UHFFFAOYSA-N
XLogP4.07
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone
CID 141300148
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone
CID 114885395
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108674787
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
[5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone
CID 114736959
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 114737015
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone (CID 141300143) is 1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone is CCc1c(O)ccc(F)c1C(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone?
The InChIKey is RYTRHXGADNMCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO3/c1-2-11-13(19)8-7-12(18)16(11)17(20)15-9-10-5-3-4-6-14(10)21-15/h3-9,19H,2H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone?
1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone has a molecular weight of 284.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2-ethyl-6-fluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 141300143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).