1-(6-ethoxy-1-benzofuran-2-yl)ethanone

C12H12O3 — CID 146562669

IUPAC1-(6-ethoxy-1-benzofuran-2-yl)ethanone
SMILESCCOc1ccc2cc(C(C)=O)oc2c1
InChIInChI=1S/C12H12O3/c1-3-14-10-5-4-9-6-11(8(2)13)15-12(9)7-10/h4-7H,3H2,1-2H3
InChIKeyPHOGFRVOCDXNPZ-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.03
Rot. Bonds3

About 1-(6-ethoxy-1-benzofuran-2-yl)ethanone

1-(6-ethoxy-1-benzofuran-2-yl)ethanone (PubChem CID 146562669) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(6-ethoxy-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethoxy-1-benzofuran-2-yl)ethanone
PubChem CID146562669
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-(6-ethoxy-1-benzofuran-2-yl)ethanone
SMILESCCOc1ccc2cc(C(C)=O)oc2c1
InChIInChI=1S/C12H12O3/c1-3-14-10-5-4-9-6-11(8(2)13)15-12(9)7-10/h4-7H,3H2,1-2H3
InChIKeyPHOGFRVOCDXNPZ-UHFFFAOYSA-N
XLogP3.03
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
methyl 6-butoxy-1-benzofuran-2-carboxylate
CID 70308418
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047353
3-acetyl-7-butoxychromen-2-one
CID 166072598
(2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide
CID 6279835
1-(1-benzofuran-2-yl)ethanone
CID 15435
7-ethoxy-1-oxoisochromene-3-carboxylic acid
CID 165441144
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
1-[6-[3-(methylsulfanylamino)cyclobutyl]oxy-1-benzofuran-2-yl]ethanone
CID 146521573
methyl 6-(oxiran-2-ylmethoxy)-1-benzofuran-2-carboxylate
CID 146098589

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(6-ethoxy-1-benzofuran-2-yl)ethanone (CID 146562669) is 1-(6-ethoxy-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(6-ethoxy-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(6-ethoxy-1-benzofuran-2-yl)ethanone is CCOc1ccc2cc(C(C)=O)oc2c1.
What is the InChIKey of 1-(6-ethoxy-1-benzofuran-2-yl)ethanone?
The InChIKey is PHOGFRVOCDXNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-14-10-5-4-9-6-11(8(2)13)15-12(9)7-10/h4-7H,3H2,1-2H3.
What are the key properties of 1-(6-ethoxy-1-benzofuran-2-yl)ethanone?
1-(6-ethoxy-1-benzofuran-2-yl)ethanone has a molecular weight of 204.22 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 146562669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).