(4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone

C13H12O2S — CID 14771930

IUPAC(4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
SMILESCc1cc(C(=O)c2cccs2)cc(C)c1O
InChIInChI=1S/C13H12O2S/c1-8-6-10(7-9(2)12(8)14)13(15)11-4-3-5-16-11/h3-7,14H,1-2H3
InChIKeyNWBATPAOQPYQNU-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.30
Rot. Bonds2

About (4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone

(4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone (PubChem CID 14771930) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is (4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
PubChem CID14771930
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name(4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
SMILESCc1cc(C(=O)c2cccs2)cc(C)c1O
InChIInChI=1S/C13H12O2S/c1-8-6-10(7-9(2)12(8)14)13(15)11-4-3-5-16-11/h3-7,14H,1-2H3
InChIKeyNWBATPAOQPYQNU-UHFFFAOYSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone (CID 14771930) is (4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone is Cc1cc(C(=O)c2cccs2)cc(C)c1O.
What is the InChIKey of (4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
The InChIKey is NWBATPAOQPYQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-8-6-10(7-9(2)12(8)14)13(15)11-4-3-5-16-11/h3-7,14H,1-2H3.
What are the key properties of (4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
(4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone has a molecular weight of 232.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 14771930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).