(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone

C16H18OS — CID 43339486

IUPAC(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(C)sc2C)c(C)c1
InChIInChI=1S/C16H18OS/c1-9-6-10(2)15(11(3)7-9)16(17)14-8-12(4)18-13(14)5/h6-8H,1-5H3
InChIKeyCDQCKVBNCSDOJG-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.52
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone

(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 43339486) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID43339486
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(C)sc2C)c(C)c1
InChIInChI=1S/C16H18OS/c1-9-6-10(2)15(11(3)7-9)16(17)14-8-12(4)18-13(14)5/h6-8H,1-5H3
InChIKeyCDQCKVBNCSDOJG-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161427
(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101484
(2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 11011169
(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 65455690
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 172735368
(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107475846
(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43462600
1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one
CID 15761215
sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
CID 146418297

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone (CID 43339486) is (2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cc(C)sc2C)c(C)c1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is CDQCKVBNCSDOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-9-6-10(2)15(11(3)7-9)16(17)14-8-12(4)18-13(14)5/h6-8H,1-5H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone?
(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 258.39 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43339486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).