ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate

C16H16O2S — CID 90711977

IUPACethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate
SMILESCC=C(c1ccc(C(=O)OCC)cc1)c1cccs1
InChIInChI=1S/C16H16O2S/c1-3-14(15-6-5-11-19-15)12-7-9-13(10-8-12)16(17)18-4-2/h3,5-11H,4H2,1-2H3
InChIKeyMTLQFDRYBPGNSP-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.38
Rot. Bonds4

About ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate

ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate (PubChem CID 90711977) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate
PubChem CID90711977
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Nameethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate
SMILESCC=C(c1ccc(C(=O)OCC)cc1)c1cccs1
InChIInChI=1S/C16H16O2S/c1-3-14(15-6-5-11-19-15)12-7-9-13(10-8-12)16(17)18-4-2/h3,5-11H,4H2,1-2H3
InChIKeyMTLQFDRYBPGNSP-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(N-methyl-C-thiophen-2-ylcarbonimidoyl)amino]benzoate
CID 8003499
ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
CID 58003647
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
ethoxycarbonyl thiophene-2-carboxylate
CID 174341165
ethyl 4-[5-(3-oxo-3-thiophen-2-ylprop-1-enyl)furan-2-yl]benzoate
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CID 102298943
ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 2892447
ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate
CID 113050437
ethyl 4-[(Z)-but-2-en-2-yl]benzoate
CID 145025321
ethyl 4-[(2,6-dichlorophenyl)methyl-(thiophene-2-carbonyl)amino]benzoate
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ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate
CID 2465519
ethyl 4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzoate
CID 45123660

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate?
The IUPAC name of ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate (CID 90711977) is ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate.
What is the SMILES notation for ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate?
The canonical SMILES for ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate is CC=C(c1ccc(C(=O)OCC)cc1)c1cccs1.
What is the InChIKey of ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate?
The InChIKey is MTLQFDRYBPGNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-3-14(15-6-5-11-19-15)12-7-9-13(10-8-12)16(17)18-4-2/h3,5-11H,4H2,1-2H3.
What are the key properties of ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate?
ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate has a molecular weight of 272.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate is sourced from PubChem (CID 90711977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).