1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone

C14H14O3 — CID 82372714

IUPAC1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone
SMILESCOc1ccc2oc(C(C)=O)c(C3CC3)c2c1
InChIInChI=1S/C14H14O3/c1-8(15)14-13(9-3-4-9)11-7-10(16-2)5-6-12(11)17-14/h5-7,9H,3-4H2,1-2H3
InChIKeyKRPQXLRXZMESLM-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.52
Rot. Bonds3

About 1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone

1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone (PubChem CID 82372714) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone
PubChem CID82372714
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone
SMILESCOc1ccc2oc(C(C)=O)c(C3CC3)c2c1
InChIInChI=1S/C14H14O3/c1-8(15)14-13(9-3-4-9)11-7-10(16-2)5-6-12(11)17-14/h5-7,9H,3-4H2,1-2H3
InChIKeyKRPQXLRXZMESLM-UHFFFAOYSA-N
XLogP3.52
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde
CID 36995432
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl] acetate
CID 68949362
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 8502431
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 8502430
methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
CID 70461005
2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211405
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
N-[(3R)-1,1-dioxothiolan-3-yl]-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 9344385
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2469436
N-(2,6-dimethylpiperidin-1-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 3506352

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone (CID 82372714) is 1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone is COc1ccc2oc(C(C)=O)c(C3CC3)c2c1.
What is the InChIKey of 1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone?
The InChIKey is KRPQXLRXZMESLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8(15)14-13(9-3-4-9)11-7-10(16-2)5-6-12(11)17-14/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone?
1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone has a molecular weight of 230.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 82372714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).