3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one

C14H14O2S — CID 54492249

IUPAC3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one
SMILESCC(CO)(C(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H14O2S/c1-14(10-15,12-8-5-9-17-12)13(16)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3
InChIKeyXWNZNNMPONUFKL-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.88
Rot. Bonds4

About 3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one

3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one (PubChem CID 54492249) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one
PubChem CID54492249
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one
SMILESCC(CO)(C(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H14O2S/c1-14(10-15,12-8-5-9-17-12)13(16)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3
InChIKeyXWNZNNMPONUFKL-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one (CID 54492249) is 3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one is CC(CO)(C(=O)c1ccccc1)c1cccs1.
What is the InChIKey of 3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one?
The InChIKey is XWNZNNMPONUFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-14(10-15,12-8-5-9-17-12)13(16)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one?
3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one has a molecular weight of 246.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 54492249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).