4-(1-benzofuran-2-yl)-1-propylazepan-4-ol

C17H23NO2 — CID 114723963

IUPAC4-(1-benzofuran-2-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H23NO2/c1-2-10-18-11-5-8-17(19,9-12-18)16-13-14-6-3-4-7-15(14)20-16/h3-4,6-7,13,19H,2,5,8-12H2,1H3
InChIKeyRVGNXTQBKHZABG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.52
Rot. Bonds3

About 4-(1-benzofuran-2-yl)-1-propylazepan-4-ol

4-(1-benzofuran-2-yl)-1-propylazepan-4-ol (PubChem CID 114723963) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-1-propylazepan-4-ol
PubChem CID114723963
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-(1-benzofuran-2-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H23NO2/c1-2-10-18-11-5-8-17(19,9-12-18)16-13-14-6-3-4-7-15(14)20-16/h3-4,6-7,13,19H,2,5,8-12H2,1H3
InChIKeyRVGNXTQBKHZABG-UHFFFAOYSA-N
XLogP3.52
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-1-propylazepan-4-ol?
The IUPAC name of 4-(1-benzofuran-2-yl)-1-propylazepan-4-ol (CID 114723963) is 4-(1-benzofuran-2-yl)-1-propylazepan-4-ol.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-1-propylazepan-4-ol?
The canonical SMILES for 4-(1-benzofuran-2-yl)-1-propylazepan-4-ol is CCCN1CCCC(O)(c2cc3ccccc3o2)CC1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-1-propylazepan-4-ol?
The InChIKey is RVGNXTQBKHZABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-10-18-11-5-8-17(19,9-12-18)16-13-14-6-3-4-7-15(14)20-16/h3-4,6-7,13,19H,2,5,8-12H2,1H3.
What are the key properties of 4-(1-benzofuran-2-yl)-1-propylazepan-4-ol?
4-(1-benzofuran-2-yl)-1-propylazepan-4-ol has a molecular weight of 273.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-1-propylazepan-4-ol is sourced from PubChem (CID 114723963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).