6-chloro-3-methoxy-1-benzothiophen-4-ol

C9H7ClO2S — CID 130970027

IUPAC6-chloro-3-methoxy-1-benzothiophen-4-ol
SMILESCOc1csc2cc(Cl)cc(O)c12
InChIInChI=1S/C9H7ClO2S/c1-12-7-4-13-8-3-5(10)2-6(11)9(7)8/h2-4,11H,1H3
InChIKeyVFYCKLNLTLZLLW-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.27
Rot. Bonds1

About 6-chloro-3-methoxy-1-benzothiophen-4-ol

6-chloro-3-methoxy-1-benzothiophen-4-ol (PubChem CID 130970027) has the molecular formula C9H7ClO2S and a molecular weight of 214.67 g/mol. Its IUPAC name is 6-chloro-3-methoxy-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-chloro-3-methoxy-1-benzothiophen-4-ol
PubChem CID130970027
Molecular FormulaC9H7ClO2S
Molecular Weight214.67 g/mol
Exact Mass213.99
IUPAC Name6-chloro-3-methoxy-1-benzothiophen-4-ol
SMILESCOc1csc2cc(Cl)cc(O)c12
InChIInChI=1S/C9H7ClO2S/c1-12-7-4-13-8-3-5(10)2-6(11)9(7)8/h2-4,11H,1H3
InChIKeyVFYCKLNLTLZLLW-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-nitro-1-benzothiophen-4-ol
CID 131146132
6-iodo-3,4-dimethoxy-1-benzothiophene
CID 131053482
4-iodo-3-methoxy-6-methyl-1-benzothiophene
CID 130941722
3-methoxy-5-methyl-1-benzothiophen-6-ol
CID 131080839
3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
CID 131146666
3-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130878457
4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol
CID 131031214
5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol
CID 135045038
5-chloro-4-ethyl-3-methoxy-1-benzothiophene
CID 131096691
5-chloro-2-ethoxy-3-methoxyphenol
CID 121210338
3-fluoro-5-methoxy-1-benzothiophen-6-ol
CID 131150696
ethyl 2-(4-chloro-6-methoxy-1-benzothiophen-3-yl)acetate;ethyl 2-(6-chloro-4-methoxy-1-benzothiophen-3-yl)acetate
CID 158663223

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-1-benzothiophen-4-ol?
The IUPAC name of 6-chloro-3-methoxy-1-benzothiophen-4-ol (CID 130970027) is 6-chloro-3-methoxy-1-benzothiophen-4-ol.
What is the SMILES notation for 6-chloro-3-methoxy-1-benzothiophen-4-ol?
The canonical SMILES for 6-chloro-3-methoxy-1-benzothiophen-4-ol is COc1csc2cc(Cl)cc(O)c12.
What is the InChIKey of 6-chloro-3-methoxy-1-benzothiophen-4-ol?
The InChIKey is VFYCKLNLTLZLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2S/c1-12-7-4-13-8-3-5(10)2-6(11)9(7)8/h2-4,11H,1H3.
What are the key properties of 6-chloro-3-methoxy-1-benzothiophen-4-ol?
6-chloro-3-methoxy-1-benzothiophen-4-ol has a molecular weight of 214.67 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-1-benzothiophen-4-ol is sourced from PubChem (CID 130970027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).