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

C11H12O2S — CID 130826703

IUPAC6-ethoxy-3-methyl-1-benzothiophen-7-ol
SMILESCCOc1ccc2c(C)csc2c1O
InChIInChI=1S/C11H12O2S/c1-3-13-9-5-4-8-7(2)6-14-11(8)10(9)12/h4-6,12H,3H2,1-2H3
InChIKeyCYQCNEQIKKVKPZ-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.31
Rot. Bonds2

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

6-ethoxy-3-methyl-1-benzothiophen-7-ol (PubChem CID 130826703) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 6-ethoxy-3-methyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name6-ethoxy-3-methyl-1-benzothiophen-7-ol
PubChem CID130826703
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name6-ethoxy-3-methyl-1-benzothiophen-7-ol
SMILESCCOc1ccc2c(C)csc2c1O
InChIInChI=1S/C11H12O2S/c1-3-13-9-5-4-8-7(2)6-14-11(8)10(9)12/h4-6,12H,3H2,1-2H3
InChIKeyCYQCNEQIKKVKPZ-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
CID 131138081
6-ethoxy-2,3-dimethylphenol
CID 119015224
4-ethoxy-3-methyl-1-benzothiophene-7-thiol
CID 130840116
2-ethoxy-6-methylphenol
CID 14911944
6-methoxy-3-methyl-1-benzothiophene-7-thiol
CID 130971315
2-bromo-3-ethoxy-4-methylthiophene
CID 141403641
2,4-diethoxy-3-methylphenol
CID 11030728
6-bromo-3-ethoxy-7-iodo-1-benzothiophene
CID 130785792
4-chloro-3-ethoxy-1-benzothiophen-7-ol
CID 131060322
3-ethoxy-7-fluoro-1-benzothiophen-5-ol
CID 131060270
4-ethoxy-1-benzothiophene-2,7-diol
CID 131191647
2-ethoxy-6,7-dimethylnaphthalene-1,4-diol
CID 19886853

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-methyl-1-benzothiophen-7-ol?
The IUPAC name of 6-ethoxy-3-methyl-1-benzothiophen-7-ol (CID 130826703) is 6-ethoxy-3-methyl-1-benzothiophen-7-ol.
What is the SMILES notation for 6-ethoxy-3-methyl-1-benzothiophen-7-ol?
The canonical SMILES for 6-ethoxy-3-methyl-1-benzothiophen-7-ol is CCOc1ccc2c(C)csc2c1O.
What is the InChIKey of 6-ethoxy-3-methyl-1-benzothiophen-7-ol?
The InChIKey is CYQCNEQIKKVKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-3-13-9-5-4-8-7(2)6-14-11(8)10(9)12/h4-6,12H,3H2,1-2H3.
What are the key properties of 6-ethoxy-3-methyl-1-benzothiophen-7-ol?
6-ethoxy-3-methyl-1-benzothiophen-7-ol has a molecular weight of 208.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-methyl-1-benzothiophen-7-ol is sourced from PubChem (CID 130826703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).