7-methyl-1-benzothiophen-5-ol

C9H8OS — CID 54126935

IUPAC7-methyl-1-benzothiophen-5-ol
SMILESCc1cc(O)cc2ccsc12
InChIInChI=1S/C9H8OS/c1-6-4-8(10)5-7-2-3-11-9(6)7/h2-5,10H,1H3
InChIKeyNRPWFAWHPIUMOL-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.92
Rot. Bonds

About 7-methyl-1-benzothiophen-5-ol

7-methyl-1-benzothiophen-5-ol (PubChem CID 54126935) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is 7-methyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name7-methyl-1-benzothiophen-5-ol
PubChem CID54126935
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Name7-methyl-1-benzothiophen-5-ol
SMILESCc1cc(O)cc2ccsc12
InChIInChI=1S/C9H8OS/c1-6-4-8(10)5-7-2-3-11-9(6)7/h2-5,10H,1H3
InChIKeyNRPWFAWHPIUMOL-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-benzothiophen-5-ol?
The IUPAC name of 7-methyl-1-benzothiophen-5-ol (CID 54126935) is 7-methyl-1-benzothiophen-5-ol.
What is the SMILES notation for 7-methyl-1-benzothiophen-5-ol?
The canonical SMILES for 7-methyl-1-benzothiophen-5-ol is Cc1cc(O)cc2ccsc12.
What is the InChIKey of 7-methyl-1-benzothiophen-5-ol?
The InChIKey is NRPWFAWHPIUMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS/c1-6-4-8(10)5-7-2-3-11-9(6)7/h2-5,10H,1H3.
What are the key properties of 7-methyl-1-benzothiophen-5-ol?
7-methyl-1-benzothiophen-5-ol has a molecular weight of 164.23 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-benzothiophen-5-ol is sourced from PubChem (CID 54126935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).