(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone

C14H14OS — CID 102839866

IUPAC(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1cccc(C(=O)c2ccsc2C)c1C
InChIInChI=1S/C14H14OS/c1-9-5-4-6-12(10(9)2)14(15)13-7-8-16-11(13)3/h4-8H,1-3H3
InChIKeyLMCMGSVYEKLCOT-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.90
Rot. Bonds2

About (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone

(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone (PubChem CID 102839866) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
PubChem CID102839866
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1cccc(C(=O)c2ccsc2C)c1C
InChIInChI=1S/C14H14OS/c1-9-5-4-6-12(10(9)2)14(15)13-7-8-16-11(13)3/h4-8H,1-3H3
InChIKeyLMCMGSVYEKLCOT-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-methylthiophen-3-yl)methanone
CID 101441488
(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone
CID 102830634
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102831155
cyclopenten-1-yl-(2,3-dimethylphenyl)methanone
CID 62080312
(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 79020544
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
furan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102830703
2,3-dimethylbenzoyl iodide
CID 87941796
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-dimethylphenyl)methanone
CID 116585152

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone (CID 102839866) is (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone is Cc1cccc(C(=O)c2ccsc2C)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is LMCMGSVYEKLCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-9-5-4-6-12(10(9)2)14(15)13-7-8-16-11(13)3/h4-8H,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone?
(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone has a molecular weight of 230.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102839866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).