(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone

C16H18O2S — CID 81127335

IUPAC(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCOc1csc(C(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C16H18O2S/c1-9-6-10(2)12(4)15(11(9)3)16(17)14-7-13(18-5)8-19-14/h6-8H,1-5H3
InChIKeyWWRGQMDUUUWONR-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.22
Rot. Bonds3

About (4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone

(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 81127335) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID81127335
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCOc1csc(C(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C16H18O2S/c1-9-6-10(2)12(4)15(11(9)3)16(17)14-7-13(18-5)8-19-14/h6-8H,1-5H3
InChIKeyWWRGQMDUUUWONR-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133
(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115483503
(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81126729
(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115787659
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247
2-(4-methoxythiophen-2-yl)-2-oxoacetaldehyde
CID 139828068
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
(4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone
CID 131204212
2-chloro-1-(4-methoxythiophen-2-yl)ethanone
CID 81140445
(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81126532

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of (4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone (CID 81127335) is (4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for (4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for (4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone is COc1csc(C(=O)c2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is WWRGQMDUUUWONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-9-6-10(2)12(4)15(11(9)3)16(17)14-7-13(18-5)8-19-14/h6-8H,1-5H3.
What are the key properties of (4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone?
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 274.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 81127335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).