(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone

C16H18OS — CID 43338856

IUPAC(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c(C)cc(C)cc2C)s1
InChIInChI=1S/C16H18OS/c1-5-13-6-7-14(18-13)16(17)15-11(3)8-10(2)9-12(15)4/h6-9H,5H2,1-4H3
InChIKeyNTOCLTPGZSJXOC-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.47
Rot. Bonds3

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

(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 43338856) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID43338856
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c(C)cc(C)cc2C)s1
InChIInChI=1S/C16H18OS/c1-5-13-6-7-14(18-13)16(17)15-11(3)8-10(2)9-12(15)4/h6-9H,5H2,1-4H3
InChIKeyNTOCLTPGZSJXOC-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone (CID 43338856) is (5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone is CCc1ccc(C(=O)c2c(C)cc(C)cc2C)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is NTOCLTPGZSJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-5-13-6-7-14(18-13)16(17)15-11(3)8-10(2)9-12(15)4/h6-9H,5H2,1-4H3.
What are the key properties of (5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone?
(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 258.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43338856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).