2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone

C13H12O2S — CID 86026845

IUPAC2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone
SMILESCc1ccc(C(=O)C(O)c2ccccc2)s1
InChIInChI=1S/C13H12O2S/c1-9-7-8-11(16-9)13(15)12(14)10-5-3-2-4-6-10/h2-8,12,14H,1H3
InChIKeyYXKVMBUOTCNANI-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.97
Rot. Bonds3

About 2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone

2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone (PubChem CID 86026845) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone
PubChem CID86026845
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone
SMILESCc1ccc(C(=O)C(O)c2ccccc2)s1
InChIInChI=1S/C13H12O2S/c1-9-7-8-11(16-9)13(15)12(14)10-5-3-2-4-6-10/h2-8,12,14H,1H3
InChIKeyYXKVMBUOTCNANI-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone (CID 86026845) is 2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone is Cc1ccc(C(=O)C(O)c2ccccc2)s1.
What is the InChIKey of 2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone?
The InChIKey is YXKVMBUOTCNANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-9-7-8-11(16-9)13(15)12(14)10-5-3-2-4-6-10/h2-8,12,14H,1H3.
What are the key properties of 2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone?
2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone has a molecular weight of 232.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone is sourced from PubChem (CID 86026845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).