3-methyl-1-benzothiophen-5-ol

C9H8OS — CID 12575560

IUPAC3-methyl-1-benzothiophen-5-ol
SMILESCc1csc2ccc(O)cc12
InChIInChI=1S/C9H8OS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,10H,1H3
InChIKeyPCIMCTLCAPRUCC-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.92
Rot. Bonds

About 3-methyl-1-benzothiophen-5-ol

3-methyl-1-benzothiophen-5-ol (PubChem CID 12575560) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-methyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-methyl-1-benzothiophen-5-ol
PubChem CID12575560
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Name3-methyl-1-benzothiophen-5-ol
SMILESCc1csc2ccc(O)cc12
InChIInChI=1S/C9H8OS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,10H,1H3
InChIKeyPCIMCTLCAPRUCC-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 3-methyl-1-benzothiophen-5-ol?
The IUPAC name of 3-methyl-1-benzothiophen-5-ol (CID 12575560) is 3-methyl-1-benzothiophen-5-ol.
What is the SMILES notation for 3-methyl-1-benzothiophen-5-ol?
The canonical SMILES for 3-methyl-1-benzothiophen-5-ol is Cc1csc2ccc(O)cc12.
What is the InChIKey of 3-methyl-1-benzothiophen-5-ol?
The InChIKey is PCIMCTLCAPRUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,10H,1H3.
What are the key properties of 3-methyl-1-benzothiophen-5-ol?
3-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 3-methyl-1-benzothiophen-5-ol is sourced from PubChem (CID 12575560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).