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

C17H14O3 — CID 141300148

IUPAC1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone
SMILESCCc1c(O)cccc1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H14O3/c1-2-12-13(7-5-8-14(12)18)17(19)16-10-11-6-3-4-9-15(11)20-16/h3-10,18H,2H2,1H3
InChIKeyBNHHDGQINZXEMK-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.93
Rot. Bonds3

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

1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone (PubChem CID 141300148) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone
PubChem CID141300148
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone
SMILESCCc1c(O)cccc1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H14O3/c1-2-12-13(7-5-8-14(12)18)17(19)16-10-11-6-3-4-9-15(11)20-16/h3-10,18H,2H2,1H3
InChIKeyBNHHDGQINZXEMK-UHFFFAOYSA-N
XLogP3.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 172762456
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
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1-(1-benzofuran-2-yl)ethanone
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1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
1-benzofuran-2-yl(2-benzofuran-1-yl)methanone
CID 141203650
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 114737388
1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone
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1-(1-benzofuran-2-yl)-2-propan-2-ylsulfonylethanone
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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone (CID 141300148) is 1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone is CCc1c(O)cccc1C(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone?
The InChIKey is BNHHDGQINZXEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-2-12-13(7-5-8-14(12)18)17(19)16-10-11-6-3-4-9-15(11)20-16/h3-10,18H,2H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone?
1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone has a molecular weight of 266.30 g/mol, XLogP of 3.93, 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-3-hydroxyphenyl)methanone is sourced from PubChem (CID 141300148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).