2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol

C14H16OS — CID 14771931

IUPAC2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol
SMILESCc1cc(CCc2cccs2)cc(C)c1O
InChIInChI=1S/C14H16OS/c1-10-8-12(9-11(2)14(10)15)5-6-13-4-3-7-16-13/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyOBKRPALMDDZEEB-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.86
Rot. Bonds3

About 2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol

2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol (PubChem CID 14771931) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol
PubChem CID14771931
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol
SMILESCc1cc(CCc2cccs2)cc(C)c1O
InChIInChI=1S/C14H16OS/c1-10-8-12(9-11(2)14(10)15)5-6-13-4-3-7-16-13/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyOBKRPALMDDZEEB-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol?
The IUPAC name of 2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol (CID 14771931) is 2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol?
The canonical SMILES for 2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol is Cc1cc(CCc2cccs2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol?
The InChIKey is OBKRPALMDDZEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-10-8-12(9-11(2)14(10)15)5-6-13-4-3-7-16-13/h3-4,7-9,15H,5-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol?
2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol has a molecular weight of 232.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-thiophen-2-ylethyl)phenol is sourced from PubChem (CID 14771931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).