2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene

C12H12OS2 — CID 121000896

IUPAC2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene
SMILESCOc1ccc(/C=C/c2ccc(C)s2)s1
InChIInChI=1S/C12H12OS2/c1-9-3-4-10(14-9)5-6-11-7-8-12(13-2)15-11/h3-8H,1-2H3/b6-5+
InChIKeyWKEHEAYGSVGJKP-AATRIKPKSA-N
MW236.36 g/mol
LogP4.30
Rot. Bonds3

About 2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene

2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene (PubChem CID 121000896) has the molecular formula C12H12OS2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene.

Molecular Properties

Compound Name2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene
PubChem CID121000896
Molecular FormulaC12H12OS2
Molecular Weight236.36 g/mol
Exact Mass236.03
IUPAC Name2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene
SMILESCOc1ccc(/C=C/c2ccc(C)s2)s1
InChIInChI=1S/C12H12OS2/c1-9-3-4-10(14-9)5-6-11-7-8-12(13-2)15-11/h3-8H,1-2H3/b6-5+
InChIKeyWKEHEAYGSVGJKP-AATRIKPKSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene?
The IUPAC name of 2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene (CID 121000896) is 2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene.
What is the SMILES notation for 2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene?
The canonical SMILES for 2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene is COc1ccc(/C=C/c2ccc(C)s2)s1.
What is the InChIKey of 2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene?
The InChIKey is WKEHEAYGSVGJKP-AATRIKPKSA-N. The full InChI is InChI=1S/C12H12OS2/c1-9-3-4-10(14-9)5-6-11-7-8-12(13-2)15-11/h3-8H,1-2H3/b6-5+.
What are the key properties of 2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene?
2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene has a molecular weight of 236.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene is sourced from PubChem (CID 121000896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).