1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol

C14H16O3 — CID 114724321

IUPAC1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol
SMILESCOCC(O)(c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C14H16O3/c1-16-9-14(15,11-6-7-11)13-8-10-4-2-3-5-12(10)17-13/h2-5,8,11,15H,6-7,9H2,1H3
InChIKeyJHXUJLHVXLAPOQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.68
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol

1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol (PubChem CID 114724321) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol
PubChem CID114724321
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol
SMILESCOCC(O)(c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C14H16O3/c1-16-9-14(15,11-6-7-11)13-8-10-4-2-3-5-12(10)17-13/h2-5,8,11,15H,6-7,9H2,1H3
InChIKeyJHXUJLHVXLAPOQ-UHFFFAOYSA-N
XLogP2.68
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol (CID 114724321) is 1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol is COCC(O)(c1cc2ccccc2o1)C1CC1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol?
The InChIKey is JHXUJLHVXLAPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-16-9-14(15,11-6-7-11)13-8-10-4-2-3-5-12(10)17-13/h2-5,8,11,15H,6-7,9H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol?
1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol has a molecular weight of 232.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol is sourced from PubChem (CID 114724321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).