(2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone

C16H18OS — CID 519440

IUPAC(2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone
SMILESCc1c(C)c(C)c(C(=O)c2cccs2)c(C)c1C
InChIInChI=1S/C16H18OS/c1-9-10(2)12(4)15(13(5)11(9)3)16(17)14-7-6-8-18-14/h6-8H,1-5H3
InChIKeyZGEZTRBQIJWTJL-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.52
Rot. Bonds2

About (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone

(2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone (PubChem CID 519440) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone
PubChem CID519440
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name(2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone
SMILESCc1c(C)c(C)c(C(=O)c2cccs2)c(C)c1C
InChIInChI=1S/C16H18OS/c1-9-10(2)12(4)15(13(5)11(9)3)16(17)14-7-6-8-18-14/h6-8H,1-5H3
InChIKeyZGEZTRBQIJWTJL-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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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone (CID 519440) is (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone is Cc1c(C)c(C)c(C(=O)c2cccs2)c(C)c1C.
What is the InChIKey of (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone?
The InChIKey is ZGEZTRBQIJWTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-9-10(2)12(4)15(13(5)11(9)3)16(17)14-7-6-8-18-14/h6-8H,1-5H3.
What are the key properties of (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone?
(2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone 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 (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 519440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).