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

C13H12O2S — CID 13404184

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

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

(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone (PubChem CID 13404184) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
PubChem CID13404184
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
SMILESCc1cc(C)c(O)c(C(=O)c2cccs2)c1
InChIInChI=1S/C13H12O2S/c1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11/h3-7,14H,1-2H3
InChIKeyVIWRNRWYKCQLJO-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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Related Compounds

(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
CID 82051969
1-thiophen-2-yl-3-(2,4,6-trimethylphenyl)prop-2-en-1-one
CID 2826869
(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
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
carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
CID 160837853
(4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone
CID 139795818
(3,5-dimethyl-2-sulfanylidene-1,3-benzoxazol-6-yl)-thiophen-2-ylmethanone
CID 154058921
(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone
CID 134835171
(3-tert-butyl-4-hydroxy-5-methylphenyl)-thiophen-2-ylmethanone;N-propan-2-ylpropan-2-amine;hydrochloride
CID 88609592

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone (CID 13404184) is (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone is Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.
What is the InChIKey of (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
The InChIKey is VIWRNRWYKCQLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11/h3-7,14H,1-2H3.
What are the key properties of (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
(2-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 (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 13404184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).