methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate

C14H12O2S — CID 2764285

IUPACmethyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
SMILESCOC(=O)C(=Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H12O2S/c1-16-14(15)13(10-12-8-5-9-17-12)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyWFKFCKVQAHHJOW-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.46
Rot. Bonds3

About methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate

methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate (PubChem CID 2764285) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
PubChem CID2764285
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Namemethyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
SMILESCOC(=O)C(=Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H12O2S/c1-16-14(15)13(10-12-8-5-9-17-12)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyWFKFCKVQAHHJOW-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-2-hydroxy-3-thiophen-2-ylprop-2-enoate
CID 52985524
(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide
CID 11379581
methyl 2-methyl-3-thiophen-2-ylprop-2-enoate
CID 57285992
methyl (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)butanoate
CID 67842842
methyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
CID 968615
dimethyl (2E)-2-(thiophen-2-ylmethylidene)butanedioate
CID 11107460
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
methyl (E)-3-(2-cyanophenyl)-2-phenylprop-2-enoate
CID 102379772
(E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid
CID 5386472
(E)-2-phenyl-3-thiophen-2-ylprop-2-enal
CID 10584747
methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate (CID 2764285) is methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate is COC(=O)C(=Cc1cccs1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate?
The InChIKey is WFKFCKVQAHHJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-16-14(15)13(10-12-8-5-9-17-12)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate?
methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate has a molecular weight of 244.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2764285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).