(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone

C15H16OS — CID 43161390

IUPAC(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H16OS/c1-4-12-5-7-13(8-6-12)15(16)14-9-10(2)17-11(14)3/h5-9H,4H2,1-3H3
InChIKeyZJPSPAQGWCLQQN-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.16
Rot. Bonds3

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

(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone (PubChem CID 43161390) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
PubChem CID43161390
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H16OS/c1-4-12-5-7-13(8-6-12)15(16)14-9-10(2)17-11(14)3/h5-9H,4H2,1-3H3
InChIKeyZJPSPAQGWCLQQN-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488
(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43339470
(4-ethylphenyl)-(4-methylthiophen-3-yl)methanone
CID 79803234
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161396
(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161427
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone
CID 43339479
(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
CID 65306723
(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 103219617
(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 81291094
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone (CID 43161390) is (2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone?
The InChIKey is ZJPSPAQGWCLQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-4-12-5-7-13(8-6-12)15(16)14-9-10(2)17-11(14)3/h5-9H,4H2,1-3H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone?
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone has a molecular weight of 244.36 g/mol, XLogP of 4.16, 3 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)-(4-ethylphenyl)methanone is sourced from PubChem (CID 43161390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).