2-methyl-4-thiophen-2-ylphenol

C11H10OS — CID 53218764

IUPAC2-methyl-4-thiophen-2-ylphenol
SMILESCc1cc(-c2cccs2)ccc1O
InChIInChI=1S/C11H10OS/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h2-7,12H,1H3
InChIKeyBRAYOQDSDHCNIS-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.43
Rot. Bonds1

About 2-methyl-4-thiophen-2-ylphenol

2-methyl-4-thiophen-2-ylphenol (PubChem CID 53218764) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-ylphenol.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-ylphenol
PubChem CID53218764
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name2-methyl-4-thiophen-2-ylphenol
SMILESCc1cc(-c2cccs2)ccc1O
InChIInChI=1S/C11H10OS/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h2-7,12H,1H3
InChIKeyBRAYOQDSDHCNIS-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-2-ylphenol?
The IUPAC name of 2-methyl-4-thiophen-2-ylphenol (CID 53218764) is 2-methyl-4-thiophen-2-ylphenol.
What is the SMILES notation for 2-methyl-4-thiophen-2-ylphenol?
The canonical SMILES for 2-methyl-4-thiophen-2-ylphenol is Cc1cc(-c2cccs2)ccc1O.
What is the InChIKey of 2-methyl-4-thiophen-2-ylphenol?
The InChIKey is BRAYOQDSDHCNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h2-7,12H,1H3.
What are the key properties of 2-methyl-4-thiophen-2-ylphenol?
2-methyl-4-thiophen-2-ylphenol has a molecular weight of 190.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-ylphenol is sourced from PubChem (CID 53218764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).