4-ethyl-6-fluoro-1-benzothiophen-3-ol

C10H9FOS — CID 130826695

IUPAC4-ethyl-6-fluoro-1-benzothiophen-3-ol
SMILESCCc1cc(F)cc2scc(O)c12
InChIInChI=1S/C10H9FOS/c1-2-6-3-7(11)4-9-10(6)8(12)5-13-9/h3-5,12H,2H2,1H3
InChIKeyYZQCAXYBGOLKCY-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.31
Rot. Bonds1

About 4-ethyl-6-fluoro-1-benzothiophen-3-ol

4-ethyl-6-fluoro-1-benzothiophen-3-ol (PubChem CID 130826695) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-ethyl-6-fluoro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name4-ethyl-6-fluoro-1-benzothiophen-3-ol
PubChem CID130826695
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name4-ethyl-6-fluoro-1-benzothiophen-3-ol
SMILESCCc1cc(F)cc2scc(O)c12
InChIInChI=1S/C10H9FOS/c1-2-6-3-7(11)4-9-10(6)8(12)5-13-9/h3-5,12H,2H2,1H3
InChIKeyYZQCAXYBGOLKCY-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-fluoro-1-benzothiophen-4-ol
CID 130956346
6-bromo-4-(hydroxymethyl)-1-benzothiophen-3-ol
CID 130970840
3-bromo-6-(bromomethyl)-4-ethyl-1-benzothiophene
CID 131098238
7-ethyl-4-methylsulfanyl-1-benzothiophen-3-ol
CID 131223384
5-ethyl-3-methyl-1-benzothiophen-6-ol
CID 131197632
4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol
CID 131031214
4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130942152
6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine
CID 131138124
2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid
CID 130274825
2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile
CID 130820910
3-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130878457

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-fluoro-1-benzothiophen-3-ol?
The IUPAC name of 4-ethyl-6-fluoro-1-benzothiophen-3-ol (CID 130826695) is 4-ethyl-6-fluoro-1-benzothiophen-3-ol.
What is the SMILES notation for 4-ethyl-6-fluoro-1-benzothiophen-3-ol?
The canonical SMILES for 4-ethyl-6-fluoro-1-benzothiophen-3-ol is CCc1cc(F)cc2scc(O)c12.
What is the InChIKey of 4-ethyl-6-fluoro-1-benzothiophen-3-ol?
The InChIKey is YZQCAXYBGOLKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-2-6-3-7(11)4-9-10(6)8(12)5-13-9/h3-5,12H,2H2,1H3.
What are the key properties of 4-ethyl-6-fluoro-1-benzothiophen-3-ol?
4-ethyl-6-fluoro-1-benzothiophen-3-ol has a molecular weight of 196.25 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-fluoro-1-benzothiophen-3-ol is sourced from PubChem (CID 130826695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).