(E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one

C14H12O2S — CID 5377081

IUPAC(E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C14H12O2S/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-10H,1H3/b9-8+
InChIKeyUGTXYTPJTDWEBQ-CMDGGOBGSA-N
MW244.31 g/mol
LogP3.65
Rot. Bonds4

About (E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one

(E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 5377081) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID5377081
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name(E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C14H12O2S/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-10H,1H3/b9-8+
InChIKeyUGTXYTPJTDWEBQ-CMDGGOBGSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one (CID 5377081) is (E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one is COc1ccc(C(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is UGTXYTPJTDWEBQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12O2S/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-10H,1H3/b9-8+.
What are the key properties of (E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 244.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5377081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).