(E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one

C15H14O3S — CID 6214047

IUPAC(E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc(OC)c(C(=O)/C=C/c2cccs2)c1
InChIInChI=1S/C15H14O3S/c1-17-11-5-8-15(18-2)13(10-11)14(16)7-6-12-4-3-9-19-12/h3-10H,1-2H3/b7-6+
InChIKeyYYFBJAFPDJWVSF-VOTSOKGWSA-N
MW274.34 g/mol
LogP3.66
Rot. Bonds5

About (E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one

(E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 6214047) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is (E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID6214047
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name(E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc(OC)c(C(=O)/C=C/c2cccs2)c1
InChIInChI=1S/C15H14O3S/c1-17-11-5-8-15(18-2)13(10-11)14(16)7-6-12-4-3-9-19-12/h3-10H,1-2H3/b7-6+
InChIKeyYYFBJAFPDJWVSF-VOTSOKGWSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one (CID 6214047) is (E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one is COc1ccc(OC)c(C(=O)/C=C/c2cccs2)c1.
What is the InChIKey of (E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is YYFBJAFPDJWVSF-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H14O3S/c1-17-11-5-8-15(18-2)13(10-11)14(16)7-6-12-4-3-9-19-12/h3-10H,1-2H3/b7-6+.
What are the key properties of (E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 274.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 6214047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).