1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol

C17H19NO3S — CID 166998249

IUPAC1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol
SMILESCNCCC(O)(Oc1cccc2ccoc12)c1ccc(C)s1
InChIInChI=1S/C17H19NO3S/c1-12-6-7-15(22-12)17(19,9-10-18-2)21-14-5-3-4-13-8-11-20-16(13)14/h3-8,11,18-19H,9-10H2,1-2H3
InChIKeyBGWSBEHEKKIQGQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.64
Rot. Bonds6

About 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol

1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol (PubChem CID 166998249) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol
PubChem CID166998249
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol
SMILESCNCCC(O)(Oc1cccc2ccoc12)c1ccc(C)s1
InChIInChI=1S/C17H19NO3S/c1-12-6-7-15(22-12)17(19,9-10-18-2)21-14-5-3-4-13-8-11-20-16(13)14/h3-8,11,18-19H,9-10H2,1-2H3
InChIKeyBGWSBEHEKKIQGQ-UHFFFAOYSA-N
XLogP3.64
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol (CID 166998249) is 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol is CNCCC(O)(Oc1cccc2ccoc12)c1ccc(C)s1.
What is the InChIKey of 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol?
The InChIKey is BGWSBEHEKKIQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-6-7-15(22-12)17(19,9-10-18-2)21-14-5-3-4-13-8-11-20-16(13)14/h3-8,11,18-19H,9-10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol?
1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol has a molecular weight of 317.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 166998249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).