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

C13H10O3S — CID 73291673

IUPAC(E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1O)c1cccs1
InChIInChI=1S/C13H10O3S/c14-10-5-3-9(12(16)8-10)4-6-11(15)13-2-1-7-17-13/h1-8,14,16H/b6-4+
InChIKeyHFJFEYAKDAKSFT-GQCTYLIASA-N
MW246.29 g/mol
LogP3.06
Rot. Bonds3

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

(E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 73291673) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is (E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID73291673
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name(E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1O)c1cccs1
InChIInChI=1S/C13H10O3S/c14-10-5-3-9(12(16)8-10)4-6-11(15)13-2-1-7-17-13/h1-8,14,16H/b6-4+
InChIKeyHFJFEYAKDAKSFT-GQCTYLIASA-N
XLogP3.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
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)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one (CID 73291673) is (E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc(O)cc1O)c1cccs1.
What is the InChIKey of (E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is HFJFEYAKDAKSFT-GQCTYLIASA-N. The full InChI is InChI=1S/C13H10O3S/c14-10-5-3-9(12(16)8-10)4-6-11(15)13-2-1-7-17-13/h1-8,14,16H/b6-4+.
What are the key properties of (E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 246.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 73291673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).