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

C13H10O2S — CID 5387158

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

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

(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 5387158) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is (E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID5387158
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1O)c1cccs1
InChIInChI=1S/C13H10O2S/c14-11-5-2-1-4-10(11)7-8-12(15)13-6-3-9-16-13/h1-9,14H/b8-7+
InChIKeyWNCXWTPPRZUAKU-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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Related Compounds

(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 19544633
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375
1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one
CID 141350402
3-(1-methyl-2-sulfanylidene-3-pyridinyl)-1-thiophen-2-ylprop-2-en-1-one
CID 4169973
(Z)-3-quinolin-4-yl-1-thiophen-2-ylprop-2-en-1-one
CID 18532509
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859
(E)-3-anthracen-9-yl-1-thiophen-2-ylprop-2-en-1-one
CID 44885765
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 14771932
3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 54355288
(Z)-3-anthracen-9-yl-1-thiophen-2-ylprop-2-en-1-one
CID 139077299
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one (CID 5387158) is (E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1ccccc1O)c1cccs1.
What is the InChIKey of (E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is WNCXWTPPRZUAKU-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H10O2S/c14-11-5-2-1-4-10(11)7-8-12(15)13-6-3-9-16-13/h1-9,14H/b8-7+.
What are the key properties of (E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-(2-hydroxyphenyl)-1-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)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5387158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).