2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol

C15H16OS — CID 14771923

IUPAC2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol
SMILESCc1ccc(/C=C/c2cc(C)c(O)c(C)c2)s1
InChIInChI=1S/C15H16OS/c1-10-8-13(9-11(2)15(10)16)5-7-14-6-4-12(3)17-14/h4-9,16H,1-3H3/b7-5+
InChIKeyVHQWMWQUBBOXMD-FNORWQNLSA-N
MW244.36 g/mol
LogP4.55
Rot. Bonds2

About 2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol

2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol (PubChem CID 14771923) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol
PubChem CID14771923
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol
SMILESCc1ccc(/C=C/c2cc(C)c(O)c(C)c2)s1
InChIInChI=1S/C15H16OS/c1-10-8-13(9-11(2)15(10)16)5-7-14-6-4-12(3)17-14/h4-9,16H,1-3H3/b7-5+
InChIKeyVHQWMWQUBBOXMD-FNORWQNLSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.55
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-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol (CID 14771923) is 2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol is Cc1ccc(/C=C/c2cc(C)c(O)c(C)c2)s1.
What is the InChIKey of 2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol?
The InChIKey is VHQWMWQUBBOXMD-FNORWQNLSA-N. The full InChI is InChI=1S/C15H16OS/c1-10-8-13(9-11(2)15(10)16)5-7-14-6-4-12(3)17-14/h4-9,16H,1-3H3/b7-5+.
What are the key properties of 2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol?
2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol has a molecular weight of 244.36 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]phenol is sourced from PubChem (CID 14771923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).