5,7-dimethyl-1-benzothiophene-3,4-diol

C10H10O2S — CID 130033071

IUPAC5,7-dimethyl-1-benzothiophene-3,4-diol
SMILESCc1cc(C)c2scc(O)c2c1O
InChIInChI=1S/C10H10O2S/c1-5-3-6(2)10-8(9(5)12)7(11)4-13-10/h3-4,11-12H,1-2H3
InChIKeyZFVGJBWQPQCBKK-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.93
Rot. Bonds

About 5,7-dimethyl-1-benzothiophene-3,4-diol

5,7-dimethyl-1-benzothiophene-3,4-diol (PubChem CID 130033071) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 5,7-dimethyl-1-benzothiophene-3,4-diol.

Molecular Properties

Compound Name5,7-dimethyl-1-benzothiophene-3,4-diol
PubChem CID130033071
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name5,7-dimethyl-1-benzothiophene-3,4-diol
SMILESCc1cc(C)c2scc(O)c2c1O
InChIInChI=1S/C10H10O2S/c1-5-3-6(2)10-8(9(5)12)7(11)4-13-10/h3-4,11-12H,1-2H3
InChIKeyZFVGJBWQPQCBKK-UHFFFAOYSA-N
XLogP2.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

7-methyl-5-sulfanyl-1-benzothiophen-3-ol
CID 130821450
5,7-dichloro-4-methyl-1-benzothiophen-3-ol
CID 20574805
6-amino-4-methyl-1-benzothiophen-3-ol
CID 130878558
3,5-dimethyl-1-benzothiophen-4-ol
CID 91882001
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
2-(3-hydroxy-4-methyl-1-benzothiophen-7-yl)acetonitrile
CID 131000567
actinium;2,3,5-trimethylbenzene-1,4-diol
CID 22949987
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
3,7-dihydroxy-1-benzothiophene-4-carbaldehyde
CID 130839061
5,7-dichloro-4-iodo-1-benzothiophen-3-ol
CID 91350563
4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130942152
5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol
CID 142760792

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-benzothiophene-3,4-diol?
The IUPAC name of 5,7-dimethyl-1-benzothiophene-3,4-diol (CID 130033071) is 5,7-dimethyl-1-benzothiophene-3,4-diol.
What is the SMILES notation for 5,7-dimethyl-1-benzothiophene-3,4-diol?
The canonical SMILES for 5,7-dimethyl-1-benzothiophene-3,4-diol is Cc1cc(C)c2scc(O)c2c1O.
What is the InChIKey of 5,7-dimethyl-1-benzothiophene-3,4-diol?
The InChIKey is ZFVGJBWQPQCBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-5-3-6(2)10-8(9(5)12)7(11)4-13-10/h3-4,11-12H,1-2H3.
What are the key properties of 5,7-dimethyl-1-benzothiophene-3,4-diol?
5,7-dimethyl-1-benzothiophene-3,4-diol has a molecular weight of 194.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-benzothiophene-3,4-diol is sourced from PubChem (CID 130033071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).