2-(azepan-1-ylmethyl)-1-benzofuran-6-ol

C15H19NO2 — CID 117179274

IUPAC2-(azepan-1-ylmethyl)-1-benzofuran-6-ol
SMILESOc1ccc2cc(CN3CCCCCC3)oc2c1
InChIInChI=1S/C15H19NO2/c17-13-6-5-12-9-14(18-15(12)10-13)11-16-7-3-1-2-4-8-16/h5-6,9-10,17H,1-4,7-8,11H2
InChIKeyDJSZIMNBLPDPLW-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.51
Rot. Bonds2

About 2-(azepan-1-ylmethyl)-1-benzofuran-6-ol

2-(azepan-1-ylmethyl)-1-benzofuran-6-ol (PubChem CID 117179274) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-1-benzofuran-6-ol.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-1-benzofuran-6-ol
PubChem CID117179274
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(azepan-1-ylmethyl)-1-benzofuran-6-ol
SMILESOc1ccc2cc(CN3CCCCCC3)oc2c1
InChIInChI=1S/C15H19NO2/c17-13-6-5-12-9-14(18-15(12)10-13)11-16-7-3-1-2-4-8-16/h5-6,9-10,17H,1-4,7-8,11H2
InChIKeyDJSZIMNBLPDPLW-UHFFFAOYSA-N
XLogP3.51
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-1-benzofuran-6-ol?
The IUPAC name of 2-(azepan-1-ylmethyl)-1-benzofuran-6-ol (CID 117179274) is 2-(azepan-1-ylmethyl)-1-benzofuran-6-ol.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-1-benzofuran-6-ol?
The canonical SMILES for 2-(azepan-1-ylmethyl)-1-benzofuran-6-ol is Oc1ccc2cc(CN3CCCCCC3)oc2c1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-1-benzofuran-6-ol?
The InChIKey is DJSZIMNBLPDPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-13-6-5-12-9-14(18-15(12)10-13)11-16-7-3-1-2-4-8-16/h5-6,9-10,17H,1-4,7-8,11H2.
What are the key properties of 2-(azepan-1-ylmethyl)-1-benzofuran-6-ol?
2-(azepan-1-ylmethyl)-1-benzofuran-6-ol has a molecular weight of 245.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-1-benzofuran-6-ol is sourced from PubChem (CID 117179274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).