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

C14H12OS — CID 19544633

IUPAC(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one
SMILESCc1ccccc1/C=C/C(=O)c1cccs1
InChIInChI=1S/C14H12OS/c1-11-5-2-3-6-12(11)8-9-13(15)14-7-4-10-16-14/h2-10H,1H3/b9-8+
InChIKeyZWKMEXGFMGUNFP-CMDGGOBGSA-N
MW228.32 g/mol
LogP3.95
Rot. Bonds3

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

(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 19544633) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID19544633
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one
SMILESCc1ccccc1/C=C/C(=O)c1cccs1
InChIInChI=1S/C14H12OS/c1-11-5-2-3-6-12(11)8-9-13(15)14-7-4-10-16-14/h2-10H,1H3/b9-8+
InChIKeyZWKMEXGFMGUNFP-CMDGGOBGSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158
1-thiophen-2-yl-3-(2,4,6-trimethylphenyl)prop-2-en-1-one
CID 2826869
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375
3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 54355288
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 14771932
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11652550
(Z)-4-(2-methylphenyl)-1-thiophen-2-ylbut-3-en-2-one
CID 155128697
8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one
CID 2913982
3-(1-methyl-2-sulfanylidene-3-pyridinyl)-1-thiophen-2-ylprop-2-en-1-one
CID 4169973
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859
(E)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one (CID 19544633) is (E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one is Cc1ccccc1/C=C/C(=O)c1cccs1.
What is the InChIKey of (E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is ZWKMEXGFMGUNFP-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12OS/c1-11-5-2-3-6-12(11)8-9-13(15)14-7-4-10-16-14/h2-10H,1H3/b9-8+.
What are the key properties of (E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 228.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 19544633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).