2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene

C13H11ClS — CID 134955066

IUPAC2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene
SMILESCc1ccc(/C=C/c2ccccc2Cl)s1
InChIInChI=1S/C13H11ClS/c1-10-6-8-12(15-10)9-7-11-4-2-3-5-13(11)14/h2-9H,1H3/b9-7+
InChIKeyBCOGEDZYCZTFNV-VQHVLOKHSA-N
MW234.75 g/mol
LogP4.88
Rot. Bonds2

About 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene

2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene (PubChem CID 134955066) has the molecular formula C13H11ClS and a molecular weight of 234.75 g/mol. Its IUPAC name is 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene
PubChem CID134955066
Molecular FormulaC13H11ClS
Molecular Weight234.75 g/mol
Exact Mass234.03
IUPAC Name2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene
SMILESCc1ccc(/C=C/c2ccccc2Cl)s1
InChIInChI=1S/C13H11ClS/c1-10-6-8-12(15-10)9-7-11-4-2-3-5-13(11)14/h2-9H,1H3/b9-7+
InChIKeyBCOGEDZYCZTFNV-VQHVLOKHSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403
5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde
CID 85145052
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462
(E)-N-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427455
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
CID 59205815
2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene
CID 121000896
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
(E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 163409620
2-(2-chlorophenyl)ethenamine
CID 154223845
2-[2-(2-chlorophenyl)ethenyl]-5,6-dimethyl-1,3-benzothiazole
CID 5131646
(E)-1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 8858055

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene?
The IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene (CID 134955066) is 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene.
What is the SMILES notation for 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene?
The canonical SMILES for 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene is Cc1ccc(/C=C/c2ccccc2Cl)s1.
What is the InChIKey of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene?
The InChIKey is BCOGEDZYCZTFNV-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H11ClS/c1-10-6-8-12(15-10)9-7-11-4-2-3-5-13(11)14/h2-9H,1H3/b9-7+.
What are the key properties of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene?
2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene has a molecular weight of 234.75 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-methylthiophene is sourced from PubChem (CID 134955066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).