6-chloro-7-methyl-1-benzothiophen-3-ol

C9H7ClOS — CID 91608726

IUPAC6-chloro-7-methyl-1-benzothiophen-3-ol
SMILESCc1c(Cl)ccc2c(O)csc12
InChIInChI=1S/C9H7ClOS/c1-5-7(10)3-2-6-8(11)4-12-9(5)6/h2-4,11H,1H3
InChIKeyOLGWQKMMMHVHCK-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.57
Rot. Bonds

About 6-chloro-7-methyl-1-benzothiophen-3-ol

6-chloro-7-methyl-1-benzothiophen-3-ol (PubChem CID 91608726) has the molecular formula C9H7ClOS and a molecular weight of 198.67 g/mol. Its IUPAC name is 6-chloro-7-methyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name6-chloro-7-methyl-1-benzothiophen-3-ol
PubChem CID91608726
Molecular FormulaC9H7ClOS
Molecular Weight198.67 g/mol
Exact Mass197.99
IUPAC Name6-chloro-7-methyl-1-benzothiophen-3-ol
SMILESCc1c(Cl)ccc2c(O)csc12
InChIInChI=1S/C9H7ClOS/c1-5-7(10)3-2-6-8(11)4-12-9(5)6/h2-4,11H,1H3
InChIKeyOLGWQKMMMHVHCK-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-1-benzothiophen-3-ol?
The IUPAC name of 6-chloro-7-methyl-1-benzothiophen-3-ol (CID 91608726) is 6-chloro-7-methyl-1-benzothiophen-3-ol.
What is the SMILES notation for 6-chloro-7-methyl-1-benzothiophen-3-ol?
The canonical SMILES for 6-chloro-7-methyl-1-benzothiophen-3-ol is Cc1c(Cl)ccc2c(O)csc12.
What is the InChIKey of 6-chloro-7-methyl-1-benzothiophen-3-ol?
The InChIKey is OLGWQKMMMHVHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClOS/c1-5-7(10)3-2-6-8(11)4-12-9(5)6/h2-4,11H,1H3.
What are the key properties of 6-chloro-7-methyl-1-benzothiophen-3-ol?
6-chloro-7-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 6-chloro-7-methyl-1-benzothiophen-3-ol is sourced from PubChem (CID 91608726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).