4-chloro-6-methyl-1-benzothiophen-5-ol

C9H7ClOS — CID 131195513

IUPAC4-chloro-6-methyl-1-benzothiophen-5-ol
SMILESCc1cc2sccc2c(Cl)c1O
InChIInChI=1S/C9H7ClOS/c1-5-4-7-6(2-3-12-7)8(10)9(5)11/h2-4,11H,1H3
InChIKeyREPDKHSVKDPUCX-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.57
Rot. Bonds

About 4-chloro-6-methyl-1-benzothiophen-5-ol

4-chloro-6-methyl-1-benzothiophen-5-ol (PubChem CID 131195513) has the molecular formula C9H7ClOS and a molecular weight of 198.67 g/mol. Its IUPAC name is 4-chloro-6-methyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name4-chloro-6-methyl-1-benzothiophen-5-ol
PubChem CID131195513
Molecular FormulaC9H7ClOS
Molecular Weight198.67 g/mol
Exact Mass197.99
IUPAC Name4-chloro-6-methyl-1-benzothiophen-5-ol
SMILESCc1cc2sccc2c(Cl)c1O
InChIInChI=1S/C9H7ClOS/c1-5-4-7-6(2-3-12-7)8(10)9(5)11/h2-4,11H,1H3
InChIKeyREPDKHSVKDPUCX-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-1-benzothiophen-5-ol?
The IUPAC name of 4-chloro-6-methyl-1-benzothiophen-5-ol (CID 131195513) is 4-chloro-6-methyl-1-benzothiophen-5-ol.
What is the SMILES notation for 4-chloro-6-methyl-1-benzothiophen-5-ol?
The canonical SMILES for 4-chloro-6-methyl-1-benzothiophen-5-ol is Cc1cc2sccc2c(Cl)c1O.
What is the InChIKey of 4-chloro-6-methyl-1-benzothiophen-5-ol?
The InChIKey is REPDKHSVKDPUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClOS/c1-5-4-7-6(2-3-12-7)8(10)9(5)11/h2-4,11H,1H3.
What are the key properties of 4-chloro-6-methyl-1-benzothiophen-5-ol?
4-chloro-6-methyl-1-benzothiophen-5-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 4-chloro-6-methyl-1-benzothiophen-5-ol is sourced from PubChem (CID 131195513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).