1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol

C17H17NO2 — CID 79740534

IUPAC1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2cc3ccccc3o2)nc1
InChIInChI=1S/C17H17NO2/c1-2-12-7-8-14(18-11-12)10-15(19)17-9-13-5-3-4-6-16(13)20-17/h3-9,11,15,19H,2,10H2,1H3
InChIKeyWADGHLQXIBBKTB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.67
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol

1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol (PubChem CID 79740534) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
PubChem CID79740534
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2cc3ccccc3o2)nc1
InChIInChI=1S/C17H17NO2/c1-2-12-7-8-14(18-11-12)10-15(19)17-9-13-5-3-4-6-16(13)20-17/h3-9,11,15,19H,2,10H2,1H3
InChIKeyWADGHLQXIBBKTB-UHFFFAOYSA-N
XLogP3.67
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol 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-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol (CID 79740534) is 1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol is CCc1ccc(CC(O)c2cc3ccccc3o2)nc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The InChIKey is WADGHLQXIBBKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-12-7-8-14(18-11-12)10-15(19)17-9-13-5-3-4-6-16(13)20-17/h3-9,11,15,19H,2,10H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol has a molecular weight of 267.33 g/mol, XLogP of 3.67, 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)-2-(5-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 79740534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).