5-chloro-2-methyl-1-benzothiophen-3-ol

C9H7ClOS — CID 90918117

IUPAC5-chloro-2-methyl-1-benzothiophen-3-ol
SMILESCc1sc2ccc(Cl)cc2c1O
InChIInChI=1S/C9H7ClOS/c1-5-9(11)7-4-6(10)2-3-8(7)12-5/h2-4,11H,1H3
InChIKeyFLTAFLNXYAWINF-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.57
Rot. Bonds

About 5-chloro-2-methyl-1-benzothiophen-3-ol

5-chloro-2-methyl-1-benzothiophen-3-ol (PubChem CID 90918117) has the molecular formula C9H7ClOS and a molecular weight of 198.67 g/mol. Its IUPAC name is 5-chloro-2-methyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name5-chloro-2-methyl-1-benzothiophen-3-ol
PubChem CID90918117
Molecular FormulaC9H7ClOS
Molecular Weight198.67 g/mol
Exact Mass197.99
IUPAC Name5-chloro-2-methyl-1-benzothiophen-3-ol
SMILESCc1sc2ccc(Cl)cc2c1O
InChIInChI=1S/C9H7ClOS/c1-5-9(11)7-4-6(10)2-3-8(7)12-5/h2-4,11H,1H3
InChIKeyFLTAFLNXYAWINF-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 53.57
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

3,5-dichloro-2-methyl-1-benzothiophene
CID 59511137
6-chloro-2,3-dimethylthiochromen-4-one
CID 86172878
5-fluoro-2-methyl-1-benzothiophen-4-ol
CID 131057323
5-chloro-2-methyl-3-(4-methylphenyl)-1-benzothiophene
CID 4672420
5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
CID 150846661
3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine
CID 83912557
2,5-difluoro-1-benzothiophen-4-ol
CID 131098282
6-chloro-2-methylthiochromen-4-one
CID 2810162
3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
2-chloro-8,11-dimethylnaphtho[2,3-b]thioxanthen-14-one
CID 59502516
5-chloro-1-benzothiophen-3-ol
CID 14555197

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1-benzothiophen-3-ol?
The IUPAC name of 5-chloro-2-methyl-1-benzothiophen-3-ol (CID 90918117) is 5-chloro-2-methyl-1-benzothiophen-3-ol.
What is the SMILES notation for 5-chloro-2-methyl-1-benzothiophen-3-ol?
The canonical SMILES for 5-chloro-2-methyl-1-benzothiophen-3-ol is Cc1sc2ccc(Cl)cc2c1O.
What is the InChIKey of 5-chloro-2-methyl-1-benzothiophen-3-ol?
The InChIKey is FLTAFLNXYAWINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClOS/c1-5-9(11)7-4-6(10)2-3-8(7)12-5/h2-4,11H,1H3.
What are the key properties of 5-chloro-2-methyl-1-benzothiophen-3-ol?
5-chloro-2-methyl-1-benzothiophen-3-ol has a molecular weight of 198.67 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1-benzothiophen-3-ol is sourced from PubChem (CID 90918117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).