4-chloro-3-ethoxy-1-benzothiophen-7-ol

C10H9ClO2S — CID 131060322

IUPAC4-chloro-3-ethoxy-1-benzothiophen-7-ol
SMILESCCOc1csc2c(O)ccc(Cl)c12
InChIInChI=1S/C10H9ClO2S/c1-2-13-8-5-14-10-7(12)4-3-6(11)9(8)10/h3-5,12H,2H2,1H3
InChIKeyAWYOFDUGUPRRQF-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.66
Rot. Bonds2

About 4-chloro-3-ethoxy-1-benzothiophen-7-ol

4-chloro-3-ethoxy-1-benzothiophen-7-ol (PubChem CID 131060322) has the molecular formula C10H9ClO2S and a molecular weight of 228.70 g/mol. Its IUPAC name is 4-chloro-3-ethoxy-1-benzothiophen-7-ol.

Molecular Properties

Compound Name4-chloro-3-ethoxy-1-benzothiophen-7-ol
PubChem CID131060322
Molecular FormulaC10H9ClO2S
Molecular Weight228.70 g/mol
Exact Mass228.00
IUPAC Name4-chloro-3-ethoxy-1-benzothiophen-7-ol
SMILESCCOc1csc2c(O)ccc(Cl)c12
InChIInChI=1S/C10H9ClO2S/c1-2-13-8-5-14-10-7(12)4-3-6(11)9(8)10/h3-5,12H,2H2,1H3
InChIKeyAWYOFDUGUPRRQF-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-ethoxy-5-methyl-1-benzothiophene
CID 130803883
3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
CID 131146666
4-ethoxy-1-benzothiophene-2,7-diol
CID 131191647
methyl 4-chloro-3-methoxy-1-benzothiophene-7-carboxylate
CID 57012464
6-ethoxy-3-methyl-1-benzothiophen-7-ol
CID 130826703
2-bromo-4-chloro-7-ethoxy-1-benzothiophene
CID 131080410
3-ethoxy-7-fluoro-1-benzothiophen-5-ol
CID 131060270
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
5-chloro-3-ethoxy-1-benzothiophene
CID 119095235
3-ethoxy-4-fluoro-5-methyl-1-benzothiophene
CID 130951877
3-ethoxy-5-methyl-1-benzothiophene-4-thiol
CID 130970957
4-amino-2-ethoxyphenol
CID 12856010

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethoxy-1-benzothiophen-7-ol?
The IUPAC name of 4-chloro-3-ethoxy-1-benzothiophen-7-ol (CID 131060322) is 4-chloro-3-ethoxy-1-benzothiophen-7-ol.
What is the SMILES notation for 4-chloro-3-ethoxy-1-benzothiophen-7-ol?
The canonical SMILES for 4-chloro-3-ethoxy-1-benzothiophen-7-ol is CCOc1csc2c(O)ccc(Cl)c12.
What is the InChIKey of 4-chloro-3-ethoxy-1-benzothiophen-7-ol?
The InChIKey is AWYOFDUGUPRRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2S/c1-2-13-8-5-14-10-7(12)4-3-6(11)9(8)10/h3-5,12H,2H2,1H3.
What are the key properties of 4-chloro-3-ethoxy-1-benzothiophen-7-ol?
4-chloro-3-ethoxy-1-benzothiophen-7-ol has a molecular weight of 228.70 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethoxy-1-benzothiophen-7-ol is sourced from PubChem (CID 131060322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).