phenyl (E)-3-thiophen-2-ylprop-2-enoate

C13H10O2S — CID 135084425

IUPACphenyl (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(/C=C/c1cccs1)Oc1ccccc1
InChIInChI=1S/C13H10O2S/c14-13(9-8-12-7-4-10-16-12)15-11-5-2-1-3-6-11/h1-10H/b9-8+
InChIKeyZTLWNXZNJGEIHW-CMDGGOBGSA-N
MW230.29 g/mol
LogP3.37
Rot. Bonds3

About phenyl (E)-3-thiophen-2-ylprop-2-enoate

phenyl (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 135084425) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is phenyl (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Namephenyl (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID135084425
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Namephenyl (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(/C=C/c1cccs1)Oc1ccccc1
InChIInChI=1S/C13H10O2S/c14-13(9-8-12-7-4-10-16-12)15-11-5-2-1-3-6-11/h1-10H/b9-8+
InChIKeyZTLWNXZNJGEIHW-CMDGGOBGSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of phenyl (E)-3-thiophen-2-ylprop-2-enoate (CID 135084425) is phenyl (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for phenyl (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for phenyl (E)-3-thiophen-2-ylprop-2-enoate is O=C(/C=C/c1cccs1)Oc1ccccc1.
What is the InChIKey of phenyl (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is ZTLWNXZNJGEIHW-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H10O2S/c14-13(9-8-12-7-4-10-16-12)15-11-5-2-1-3-6-11/h1-10H/b9-8+.
What are the key properties of phenyl (E)-3-thiophen-2-ylprop-2-enoate?
phenyl (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 230.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 135084425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).