3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one

C15H14O2S — CID 54355288

IUPAC3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
SMILESCc1cc(C=CC(=O)c2cccs2)cc(C)c1O
InChIInChI=1S/C15H14O2S/c1-10-8-12(9-11(2)15(10)17)5-6-13(16)14-4-3-7-18-14/h3-9,17H,1-2H3
InChIKeyUIRSZQKUUOVMOR-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.97
Rot. Bonds3

About 3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one

3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 54355288) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID54355288
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
SMILESCc1cc(C=CC(=O)c2cccs2)cc(C)c1O
InChIInChI=1S/C15H14O2S/c1-10-8-12(9-11(2)15(10)17)5-6-13(16)14-4-3-7-18-14/h3-9,17H,1-2H3
InChIKeyUIRSZQKUUOVMOR-UHFFFAOYSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.97
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-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 14771932
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(4-methylthiophen-2-yl)prop-2-en-1-one
CID 87118334
1-thiophen-2-yl-3-(2,4,6-trimethylphenyl)prop-2-en-1-one
CID 2826869
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11652550
(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 19544633
3-(4-hydroxy-3,5-dimethylphenyl)-1-[5-(2-methylpropyl)thiophen-2-yl]prop-2-en-1-one
CID 66636845
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859
(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158
(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831524
1-(4-bromophenyl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 66704273
(E)-3-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544700

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one (CID 54355288) is 3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one is Cc1cc(C=CC(=O)c2cccs2)cc(C)c1O.
What is the InChIKey of 3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is UIRSZQKUUOVMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-10-8-12(9-11(2)15(10)17)5-6-13(16)14-4-3-7-18-14/h3-9,17H,1-2H3.
What are the key properties of 3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one?
3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 258.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 54355288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).