1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone

C13H14O3 — CID 43155106

IUPAC1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCCOc1cccc2c(C)c(C(C)=O)oc12
InChIInChI=1S/C13H14O3/c1-4-15-11-7-5-6-10-8(2)12(9(3)14)16-13(10)11/h5-7H,4H2,1-3H3
InChIKeyDUJXUJAGBSLSBQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP3.34
Rot. Bonds3

About 1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone

1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 43155106) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone
PubChem CID43155106
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCCOc1cccc2c(C)c(C(C)=O)oc12
InChIInChI=1S/C13H14O3/c1-4-15-11-7-5-6-10-8(2)12(9(3)14)16-13(10)11/h5-7H,4H2,1-3H3
InChIKeyDUJXUJAGBSLSBQ-UHFFFAOYSA-N
XLogP3.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8900910
N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide
CID 55996326
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
3-acetyl-8-ethoxychromen-2-one
CID 3266617
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate
CID 10854547
N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110000692
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 114358931
1-(2-ethoxy-6-ethylphenyl)ethanone
CID 147544535
(2,3-diethoxyphenyl) acetate
CID 19833387
methyl (3S)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]butanoate
CID 95597118

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone (CID 43155106) is 1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone is CCOc1cccc2c(C)c(C(C)=O)oc12.
What is the InChIKey of 1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is DUJXUJAGBSLSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-4-15-11-7-5-6-10-8(2)12(9(3)14)16-13(10)11/h5-7H,4H2,1-3H3.
What are the key properties of 1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone?
1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 218.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 43155106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).