5-fluoro-2-methyl-1-benzothiophen-4-ol

C9H7FOS — CID 131057323

IUPAC5-fluoro-2-methyl-1-benzothiophen-4-ol
SMILESCc1cc2c(O)c(F)ccc2s1
InChIInChI=1S/C9H7FOS/c1-5-4-6-8(12-5)3-2-7(10)9(6)11/h2-4,11H,1H3
InChIKeyZRYILVVQMIOSGV-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.05
Rot. Bonds

About 5-fluoro-2-methyl-1-benzothiophen-4-ol

5-fluoro-2-methyl-1-benzothiophen-4-ol (PubChem CID 131057323) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name5-fluoro-2-methyl-1-benzothiophen-4-ol
PubChem CID131057323
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name5-fluoro-2-methyl-1-benzothiophen-4-ol
SMILESCc1cc2c(O)c(F)ccc2s1
InChIInChI=1S/C9H7FOS/c1-5-4-6-8(12-5)3-2-7(10)9(6)11/h2-4,11H,1H3
InChIKeyZRYILVVQMIOSGV-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

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Related Compounds

2,5-difluoro-1-benzothiophen-4-ol
CID 131098282
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
6-chloro-2-methylthiochromen-4-one
CID 2810162
2,4,5-trimethyl-1-benzothiophene
CID 54060383
5-chloro-2-methyl-1-benzothiophene
CID 2747689
5,6-difluoro-2-methyl-1-benzothiophene
CID 131029418
7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole
CID 143769844
7-methyl-2-[4-[4-(7-methylthieno[3,2-e][1]benzothiol-2-yl)phenyl]phenyl]thieno[3,2-e][1]benzothiole
CID 143769806
2-methylbenzo[e][1]benzothiole
CID 13101461
5-(difluoromethyl)-2-methyl-1-benzothiophene-4-thiol
CID 130792314
3,6-difluoro-2-methylphenol
CID 66721696
7-methyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411635

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1-benzothiophen-4-ol?
The IUPAC name of 5-fluoro-2-methyl-1-benzothiophen-4-ol (CID 131057323) is 5-fluoro-2-methyl-1-benzothiophen-4-ol.
What is the SMILES notation for 5-fluoro-2-methyl-1-benzothiophen-4-ol?
The canonical SMILES for 5-fluoro-2-methyl-1-benzothiophen-4-ol is Cc1cc2c(O)c(F)ccc2s1.
What is the InChIKey of 5-fluoro-2-methyl-1-benzothiophen-4-ol?
The InChIKey is ZRYILVVQMIOSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c1-5-4-6-8(12-5)3-2-7(10)9(6)11/h2-4,11H,1H3.
What are the key properties of 5-fluoro-2-methyl-1-benzothiophen-4-ol?
5-fluoro-2-methyl-1-benzothiophen-4-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 5-fluoro-2-methyl-1-benzothiophen-4-ol is sourced from PubChem (CID 131057323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).