6-fluoro-4-methyl-1-benzothiophen-7-ol

C9H7FOS — CID 130942182

IUPAC6-fluoro-4-methyl-1-benzothiophen-7-ol
SMILESCc1cc(F)c(O)c2sccc12
InChIInChI=1S/C9H7FOS/c1-5-4-7(10)8(11)9-6(5)2-3-12-9/h2-4,11H,1H3
InChIKeyHWTZNIBZQIDCCY-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.05
Rot. Bonds

About 6-fluoro-4-methyl-1-benzothiophen-7-ol

6-fluoro-4-methyl-1-benzothiophen-7-ol (PubChem CID 130942182) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-fluoro-4-methyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name6-fluoro-4-methyl-1-benzothiophen-7-ol
PubChem CID130942182
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name6-fluoro-4-methyl-1-benzothiophen-7-ol
SMILESCc1cc(F)c(O)c2sccc12
InChIInChI=1S/C9H7FOS/c1-5-4-7(10)8(11)9-6(5)2-3-12-9/h2-4,11H,1H3
InChIKeyHWTZNIBZQIDCCY-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-4-methyl-1-benzothiophen-7-ol with MolForge

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

Launch Full Analysis

Related Compounds

7-fluoro-4-methyl-1-benzothiophene
CID 66644704
4-methyl-6-nitro-1-benzothiophen-7-ol
CID 130866337
4,19-dimethyl-8,15-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
CID 122606200
4-ethyl-6-methyl-1-benzothiophen-7-ol
CID 131219308
7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile
CID 131054009
4-fluoro-6-methyl-7-nitro-1-benzothiophene
CID 131029545
5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol
CID 131196121
6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
(6-iodo-4-methyl-1-benzothiophen-7-yl)methanol
CID 131122786
7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
7-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131029208

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-1-benzothiophen-7-ol?
The IUPAC name of 6-fluoro-4-methyl-1-benzothiophen-7-ol (CID 130942182) is 6-fluoro-4-methyl-1-benzothiophen-7-ol.
What is the SMILES notation for 6-fluoro-4-methyl-1-benzothiophen-7-ol?
The canonical SMILES for 6-fluoro-4-methyl-1-benzothiophen-7-ol is Cc1cc(F)c(O)c2sccc12.
What is the InChIKey of 6-fluoro-4-methyl-1-benzothiophen-7-ol?
The InChIKey is HWTZNIBZQIDCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c1-5-4-7(10)8(11)9-6(5)2-3-12-9/h2-4,11H,1H3.
What are the key properties of 6-fluoro-4-methyl-1-benzothiophen-7-ol?
6-fluoro-4-methyl-1-benzothiophen-7-ol has a molecular weight of 182.22 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-1-benzothiophen-7-ol is sourced from PubChem (CID 130942182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).