2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene

C15H16O2S — CID 18738932

IUPAC2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene
SMILESCOc1ccc(/C=C/c2ccc(C)s2)cc1OC
InChIInChI=1S/C15H16O2S/c1-11-4-7-13(18-11)8-5-12-6-9-14(16-2)15(10-12)17-3/h4-10H,1-3H3/b8-5+
InChIKeyNLUCGPUTPHQWST-VMPITWQZSA-N
MW260.36 g/mol
LogP4.24
Rot. Bonds4

About 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene (PubChem CID 18738932) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene
PubChem CID18738932
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene
SMILESCOc1ccc(/C=C/c2ccc(C)s2)cc1OC
InChIInChI=1S/C15H16O2S/c1-11-4-7-13(18-11)8-5-12-6-9-14(16-2)15(10-12)17-3/h4-10H,1-3H3/b8-5+
InChIKeyNLUCGPUTPHQWST-VMPITWQZSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 9213036
2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene
CID 121000896
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline
CID 71418980
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-trimethylstannane
CID 10806085
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
2-(3,4-dimethoxyphenyl)-N-methylethenamine
CID 174355717
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran
CID 67059528

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene?
The IUPAC name of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene (CID 18738932) is 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene.
What is the SMILES notation for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene?
The canonical SMILES for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene is COc1ccc(/C=C/c2ccc(C)s2)cc1OC.
What is the InChIKey of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene?
The InChIKey is NLUCGPUTPHQWST-VMPITWQZSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11-4-7-13(18-11)8-5-12-6-9-14(16-2)15(10-12)17-3/h4-10H,1-3H3/b8-5+.
What are the key properties of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene?
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene has a molecular weight of 260.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene is sourced from PubChem (CID 18738932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).