5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol

C11H12O3S — CID 135045038

IUPAC5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol
SMILESCOc1cc2scc(C)c2c(O)c1OC
InChIInChI=1S/C11H12O3S/c1-6-5-15-8-4-7(13-2)11(14-3)10(12)9(6)8/h4-5,12H,1-3H3
InChIKeyGYKMSIYBBSLMAJ-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.93
Rot. Bonds2

About 5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol

5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol (PubChem CID 135045038) has the molecular formula C11H12O3S and a molecular weight of 224.28 g/mol. Its IUPAC name is 5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol
PubChem CID135045038
Molecular FormulaC11H12O3S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol
SMILESCOc1cc2scc(C)c2c(O)c1OC
InChIInChI=1S/C11H12O3S/c1-6-5-15-8-4-7(13-2)11(14-3)10(12)9(6)8/h4-5,12H,1-3H3
InChIKeyGYKMSIYBBSLMAJ-UHFFFAOYSA-N
XLogP2.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
4-methoxy-3-methyl-1-benzothiophene-6-carboxylic acid
CID 131324180
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
3-methoxy-5-methyl-1-benzothiophen-6-ol
CID 131080839
3,5-dimethyl-1-benzothiophen-4-ol
CID 91882001
6-chloro-3-methoxy-1-benzothiophen-4-ol
CID 130970027
3,4,6-trimethyl-1-benzothiophene
CID 20824554
5,6-dimethoxy-4-methyl-1-benzothiophene
CID 131080478
4-iodo-3-methoxy-6-methyl-1-benzothiophene
CID 130941722
3-bromo-5-methoxy-1-benzothiophen-4-ol
CID 131034350
3-fluoro-5-methoxy-1-benzothiophen-6-ol
CID 131150696
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol?
The IUPAC name of 5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol (CID 135045038) is 5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol.
What is the SMILES notation for 5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol?
The canonical SMILES for 5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol is COc1cc2scc(C)c2c(O)c1OC.
What is the InChIKey of 5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol?
The InChIKey is GYKMSIYBBSLMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3S/c1-6-5-15-8-4-7(13-2)11(14-3)10(12)9(6)8/h4-5,12H,1-3H3.
What are the key properties of 5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol?
5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol has a molecular weight of 224.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol is sourced from PubChem (CID 135045038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).