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

C15H12O3S — CID 8840192

IUPAC(3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate
SMILESCC(=O)c1cccc(OC(=O)/C=C/c2cccs2)c1
InChIInChI=1S/C15H12O3S/c1-11(16)12-4-2-5-13(10-12)18-15(17)8-7-14-6-3-9-19-14/h2-10H,1H3/b8-7+
InChIKeyGDEJFRBJRMPDRE-BQYQJAHWSA-N
MW272.32 g/mol
LogP3.57
Rot. Bonds4

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

(3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 8840192) has the molecular formula C15H12O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is (3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name(3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID8840192
Molecular FormulaC15H12O3S
Molecular Weight272.32 g/mol
Exact Mass272.05
IUPAC Name(3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate
SMILESCC(=O)c1cccc(OC(=O)/C=C/c2cccs2)c1
InChIInChI=1S/C15H12O3S/c1-11(16)12-4-2-5-13(10-12)18-15(17)8-7-14-6-3-9-19-14/h2-10H,1H3/b8-7+
InChIKeyGDEJFRBJRMPDRE-BQYQJAHWSA-N
XLogP3.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
CID 8886119
(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648280
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
(E)-1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 6211488
methyl 4-[(E)-3-(3-acetylphenoxy)-3-oxoprop-1-enyl]benzoate
CID 8840169
(3-acetylphenyl) (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7924215
(3-acetylphenyl) 4-thiophen-2-ylbutanoate
CID 86975484
(3-acetylphenyl) carbonochloridate
CID 13097700
CID 59090948
CID 59090948
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate
CID 18209686

Frequently Asked Questions

What is the IUPAC name of (3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of (3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate (CID 8840192) is (3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for (3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for (3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate is CC(=O)c1cccc(OC(=O)/C=C/c2cccs2)c1.
What is the InChIKey of (3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is GDEJFRBJRMPDRE-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H12O3S/c1-11(16)12-4-2-5-13(10-12)18-15(17)8-7-14-6-3-9-19-14/h2-10H,1H3/b8-7+.
What are the key properties of (3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate?
(3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 272.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 8840192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).