4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol

C14H17FO3 — CID 105129637

IUPAC4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol
SMILESCCOCCCC(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H17FO3/c1-2-17-7-3-4-12(16)14-9-10-8-11(15)5-6-13(10)18-14/h5-6,8-9,12,16H,2-4,7H2,1H3
InChIKeyTZLQCUWTNWUKQC-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.42
Rot. Bonds6

About 4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol

4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol (PubChem CID 105129637) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol
PubChem CID105129637
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol
SMILESCCOCCCC(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H17FO3/c1-2-17-7-3-4-12(16)14-9-10-8-11(15)5-6-13(10)18-14/h5-6,8-9,12,16H,2-4,7H2,1H3
InChIKeyTZLQCUWTNWUKQC-UHFFFAOYSA-N
XLogP3.42
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
CID 114727140
[2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235462
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
CID 114726918
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol
CID 114727304
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-fluorophenyl)ethanol
CID 114726361
1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
CID 105130466
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032995

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol?
The IUPAC name of 4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol (CID 105129637) is 4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol.
What is the SMILES notation for 4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol?
The canonical SMILES for 4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol is CCOCCCC(O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol?
The InChIKey is TZLQCUWTNWUKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-2-17-7-3-4-12(16)14-9-10-8-11(15)5-6-13(10)18-14/h5-6,8-9,12,16H,2-4,7H2,1H3.
What are the key properties of 4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol?
4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol has a molecular weight of 252.28 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol is sourced from PubChem (CID 105129637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).