ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate

C17H18O3S — CID 102353729

IUPACethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate
SMILESC=C(CC(O)(C(=O)OCC)c1cccs1)c1ccccc1
InChIInChI=1S/C17H18O3S/c1-3-20-16(18)17(19,15-10-7-11-21-15)12-13(2)14-8-5-4-6-9-14/h4-11,19H,2-3,12H2,1H3
InChIKeyBMIRBMFGNRKDJZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.60
Rot. Bonds6

About ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate

ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate (PubChem CID 102353729) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate
PubChem CID102353729
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Nameethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate
SMILESC=C(CC(O)(C(=O)OCC)c1cccs1)c1ccccc1
InChIInChI=1S/C17H18O3S/c1-3-20-16(18)17(19,15-10-7-11-21-15)12-13(2)14-8-5-4-6-9-14/h4-11,19H,2-3,12H2,1H3
InChIKeyBMIRBMFGNRKDJZ-UHFFFAOYSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methyl-2-thiophen-2-ylpropanoate
CID 21099804
ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylbut-3-ynoate
CID 72974666
ethyl 2-methoxy-2,2-dithiophen-2-ylacetate
CID 54080403
3-ethoxy-2-methyl-3-oxo-2-thiophen-2-ylpropanoate
CID 71319693
methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate
CID 102353733
ethyl (2S)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoate
CID 131869499
3-ethoxy-2-(4-nitrophenyl)-3-oxo-2-thiophen-2-ylpropanoic acid
CID 70189638
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
ethyl 2,2-dimethoxy-3-oxo-3-phenylpropanoate
CID 15048899
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
2-fluoro-1-phenyl-2-thiophen-2-ylbutan-1-one
CID 174927610
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate?
The IUPAC name of ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate (CID 102353729) is ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate.
What is the SMILES notation for ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate?
The canonical SMILES for ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate is C=C(CC(O)(C(=O)OCC)c1cccs1)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate?
The InChIKey is BMIRBMFGNRKDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c1-3-20-16(18)17(19,15-10-7-11-21-15)12-13(2)14-8-5-4-6-9-14/h4-11,19H,2-3,12H2,1H3.
What are the key properties of ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate?
ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate has a molecular weight of 302.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate is sourced from PubChem (CID 102353729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).