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

C9H7ClOS — CID 13085745

IUPAC6-chloro-3-methyl-1-benzothiophen-5-ol
SMILESCc1csc2cc(Cl)c(O)cc12
InChIInChI=1S/C9H7ClOS/c1-5-4-12-9-3-7(10)8(11)2-6(5)9/h2-4,11H,1H3
InChIKeyKUZAAOYVXDFFOO-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.57
Rot. Bonds

About 6-chloro-3-methyl-1-benzothiophen-5-ol

6-chloro-3-methyl-1-benzothiophen-5-ol (PubChem CID 13085745) has the molecular formula C9H7ClOS and a molecular weight of 198.67 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name6-chloro-3-methyl-1-benzothiophen-5-ol
PubChem CID13085745
Molecular FormulaC9H7ClOS
Molecular Weight198.67 g/mol
Exact Mass197.99
IUPAC Name6-chloro-3-methyl-1-benzothiophen-5-ol
SMILESCc1csc2cc(Cl)c(O)cc12
InChIInChI=1S/C9H7ClOS/c1-5-4-12-9-3-7(10)8(11)2-6(5)9/h2-4,11H,1H3
InChIKeyKUZAAOYVXDFFOO-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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Related Compounds

5-ethyl-3-methyl-1-benzothiophen-6-ol
CID 131197632
6-fluoro-3,5-dimethyl-1-benzothiophene
CID 89233564
6-chloro-5-methyl-1-benzothiophen-3-amine
CID 131001222
6-methyl-3-sulfanyl-1-benzothiophen-5-ol
CID 130821459
3-methylbenzo[f][1]benzothiole
CID 129087639
5-chloro-3-nitro-1-benzothiophen-6-ol
CID 130898565
3-methylthieno[3,2-f][1]benzothiole
CID 20824629
5-bromo-3,6-dichloro-1-benzothiophene
CID 131053565
2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol
CID 125472000
6-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 131033968
5-amino-2-chloro-4-methylphenol
CID 21428510
3-methoxy-5-methyl-1-benzothiophen-6-ol
CID 131080839

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-benzothiophen-5-ol?
The IUPAC name of 6-chloro-3-methyl-1-benzothiophen-5-ol (CID 13085745) is 6-chloro-3-methyl-1-benzothiophen-5-ol.
What is the SMILES notation for 6-chloro-3-methyl-1-benzothiophen-5-ol?
The canonical SMILES for 6-chloro-3-methyl-1-benzothiophen-5-ol is Cc1csc2cc(Cl)c(O)cc12.
What is the InChIKey of 6-chloro-3-methyl-1-benzothiophen-5-ol?
The InChIKey is KUZAAOYVXDFFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClOS/c1-5-4-12-9-3-7(10)8(11)2-6(5)9/h2-4,11H,1H3.
What are the key properties of 6-chloro-3-methyl-1-benzothiophen-5-ol?
6-chloro-3-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 6-chloro-3-methyl-1-benzothiophen-5-ol is sourced from PubChem (CID 13085745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).