3,5-dimethyl-1-benzothiophen-4-ol

C10H10OS — CID 91882001

IUPAC3,5-dimethyl-1-benzothiophen-4-ol
SMILESCc1ccc2scc(C)c2c1O
InChIInChI=1S/C10H10OS/c1-6-3-4-8-9(10(6)11)7(2)5-12-8/h3-5,11H,1-2H3
InChIKeyOSRONEXBRAWEGW-UHFFFAOYSA-N
MW178.26 g/mol
LogP3.22
Rot. Bonds

About 3,5-dimethyl-1-benzothiophen-4-ol

3,5-dimethyl-1-benzothiophen-4-ol (PubChem CID 91882001) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 3,5-dimethyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3,5-dimethyl-1-benzothiophen-4-ol
PubChem CID91882001
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name3,5-dimethyl-1-benzothiophen-4-ol
SMILESCc1ccc2scc(C)c2c1O
InChIInChI=1S/C10H10OS/c1-6-3-4-8-9(10(6)11)7(2)5-12-8/h3-5,11H,1-2H3
InChIKeyOSRONEXBRAWEGW-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-benzothiophen-4-ol?
The IUPAC name of 3,5-dimethyl-1-benzothiophen-4-ol (CID 91882001) is 3,5-dimethyl-1-benzothiophen-4-ol.
What is the SMILES notation for 3,5-dimethyl-1-benzothiophen-4-ol?
The canonical SMILES for 3,5-dimethyl-1-benzothiophen-4-ol is Cc1ccc2scc(C)c2c1O.
What is the InChIKey of 3,5-dimethyl-1-benzothiophen-4-ol?
The InChIKey is OSRONEXBRAWEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-6-3-4-8-9(10(6)11)7(2)5-12-8/h3-5,11H,1-2H3.
What are the key properties of 3,5-dimethyl-1-benzothiophen-4-ol?
3,5-dimethyl-1-benzothiophen-4-ol has a molecular weight of 178.26 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-benzothiophen-4-ol is sourced from PubChem (CID 91882001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).