1-(4-methoxy-1-benzofuran-2-yl)ethanone

C11H10O3 — CID 3042306

IUPAC1-(4-methoxy-1-benzofuran-2-yl)ethanone
SMILESCOc1cccc2oc(C(C)=O)cc12
InChIInChI=1S/C11H10O3/c1-7(12)11-6-8-9(13-2)4-3-5-10(8)14-11/h3-6H,1-2H3
InChIKeyUPWQUEPUCGYGBD-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.64
Rot. Bonds2

About 1-(4-methoxy-1-benzofuran-2-yl)ethanone

1-(4-methoxy-1-benzofuran-2-yl)ethanone (PubChem CID 3042306) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(4-methoxy-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-1-benzofuran-2-yl)ethanone
PubChem CID3042306
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name1-(4-methoxy-1-benzofuran-2-yl)ethanone
SMILESCOc1cccc2oc(C(C)=O)cc12
InChIInChI=1S/C11H10O3/c1-7(12)11-6-8-9(13-2)4-3-5-10(8)14-11/h3-6H,1-2H3
InChIKeyUPWQUEPUCGYGBD-UHFFFAOYSA-N
XLogP2.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-hydroxypropoxy)-1-benzofuran-2-yl]ethanone
CID 142029220
1-(4-methoxy-1-benzofuran-2-yl)-2-methylsulfinylethanone
CID 53233010
1,2-bis(5-methoxy-2-oxochromen-3-yl)ethane-1,2-dione
CID 87234772
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
1-amino-3-[(4-methoxy-1-benzofuran-2-yl)amino]urea
CID 22729241
3-chloro-5-methoxychromen-2-one
CID 165356903
4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
CID 68711544
2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide
CID 141034538
7-acetyl-4-methoxy-1-benzofuran-2-carboxamide
CID 13258186
methyl 4-(3-hydroxypropoxy)-1-benzofuran-2-carboxylate
CID 142029288
1-(4-methoxy-7-nitro-1-benzofuran-2-yl)ethanone
CID 12809468
1-(1-benzofuran-2-yl)ethanone
CID 15435

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(4-methoxy-1-benzofuran-2-yl)ethanone (CID 3042306) is 1-(4-methoxy-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-1-benzofuran-2-yl)ethanone is COc1cccc2oc(C(C)=O)cc12.
What is the InChIKey of 1-(4-methoxy-1-benzofuran-2-yl)ethanone?
The InChIKey is UPWQUEPUCGYGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7(12)11-6-8-9(13-2)4-3-5-10(8)14-11/h3-6H,1-2H3.
What are the key properties of 1-(4-methoxy-1-benzofuran-2-yl)ethanone?
1-(4-methoxy-1-benzofuran-2-yl)ethanone has a molecular weight of 190.20 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 3042306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).