cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone

C15H16O3 — CID 65427667

IUPACcyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone
SMILESCOCCc1ccc2oc(C(=O)C3CC3)cc2c1
InChIInChI=1S/C15H16O3/c1-17-7-6-10-2-5-13-12(8-10)9-14(18-13)15(16)11-3-4-11/h2,5,8-9,11H,3-4,6-7H2,1H3
InChIKeyYDDWYFBLAXPDRB-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.21
Rot. Bonds5

About cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone

cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone (PubChem CID 65427667) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone
PubChem CID65427667
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namecyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone
SMILESCOCCc1ccc2oc(C(=O)C3CC3)cc2c1
InChIInChI=1S/C15H16O3/c1-17-7-6-10-2-5-13-12(8-10)9-14(18-13)15(16)11-3-4-11/h2,5,8-9,11H,3-4,6-7H2,1H3
InChIKeyYDDWYFBLAXPDRB-UHFFFAOYSA-N
XLogP3.21
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone?
The IUPAC name of cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone (CID 65427667) is cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone?
The canonical SMILES for cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone is COCCc1ccc2oc(C(=O)C3CC3)cc2c1.
What is the InChIKey of cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone?
The InChIKey is YDDWYFBLAXPDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-17-7-6-10-2-5-13-12(8-10)9-14(18-13)15(16)11-3-4-11/h2,5,8-9,11H,3-4,6-7H2,1H3.
What are the key properties of cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone?
cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone has a molecular weight of 244.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 65427667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).