(E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one

C13H10O2S — CID 5355846

IUPAC(E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1ccccc1O
InChIInChI=1S/C13H10O2S/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9,14H/b8-7+
InChIKeyKROMWFWQAIFUPA-BQYQJAHWSA-N
MW230.29 g/mol
LogP3.35
Rot. Bonds3

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

(E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 5355846) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is (E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID5355846
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name(E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1ccccc1O
InChIInChI=1S/C13H10O2S/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9,14H/b8-7+
InChIKeyKROMWFWQAIFUPA-BQYQJAHWSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
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-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one (CID 5355846) is (E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)c1ccccc1O.
What is the InChIKey of (E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is KROMWFWQAIFUPA-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H10O2S/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9,14H/b8-7+.
What are the key properties of (E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 230.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5355846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).