methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate

C14H12O2S — CID 155479747

IUPACmethyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate
SMILESCOC(=O)c1cccc(/C=C/c2cccs2)c1
InChIInChI=1S/C14H12O2S/c1-16-14(15)12-5-2-4-11(10-12)7-8-13-6-3-9-17-13/h2-10H,1H3/b8-7+
InChIKeyUANZAFSQWUHFOW-BQYQJAHWSA-N
MW244.31 g/mol
LogP3.71
Rot. Bonds3

About methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate

methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate (PubChem CID 155479747) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate
PubChem CID155479747
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Namemethyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate
SMILESCOC(=O)c1cccc(/C=C/c2cccs2)c1
InChIInChI=1S/C14H12O2S/c1-16-14(15)12-5-2-4-11(10-12)7-8-13-6-3-9-17-13/h2-10H,1H3/b8-7+
InChIKeyUANZAFSQWUHFOW-BQYQJAHWSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate
CID 155479516
methyl 3-(2-methoxyethenyl)benzoate
CID 67019210
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CID 102437216
methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate
CID 75210644
methyl 3-(4-sulfanylbut-1-enyl)benzoate
CID 170478585
methyl 3-(4-aminobut-1-enyl)benzoate
CID 170487184
methyl 4-chloro-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 8909985
methyl 3-(3-ethoxy-3-oxoprop-1-enyl)benzoate
CID 54092134
methyl 3-[(E)-5-hydroxy-3-oxopent-1-enyl]benzoate
CID 135203906
methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate
CID 44609079
CID 159558349
CID 159558349
CID 70265363
CID 70265363

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate?
The IUPAC name of methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate (CID 155479747) is methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate.
What is the SMILES notation for methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate?
The canonical SMILES for methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate is COC(=O)c1cccc(/C=C/c2cccs2)c1.
What is the InChIKey of methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate?
The InChIKey is UANZAFSQWUHFOW-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12O2S/c1-16-14(15)12-5-2-4-11(10-12)7-8-13-6-3-9-17-13/h2-10H,1H3/b8-7+.
What are the key properties of methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate?
methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate has a molecular weight of 244.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate is sourced from PubChem (CID 155479747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).