(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone

C14H14O2S — CID 114963052

IUPAC(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C14H14O2S/c1-9-4-10(2)6-11(5-9)14(15)13-7-12(16-3)8-17-13/h4-8H,1-3H3
InChIKeyXAFRUXZOZJAWEI-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.60
Rot. Bonds3

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

(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone (PubChem CID 114963052) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
PubChem CID114963052
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C14H14O2S/c1-9-4-10(2)6-11(5-9)14(15)13-7-12(16-3)8-17-13/h4-8H,1-3H3
InChIKeyXAFRUXZOZJAWEI-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115787659
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 81127335
(4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone
CID 115790453
(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81126729
(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127475
(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115483503
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

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone (CID 114963052) is (3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
The InChIKey is XAFRUXZOZJAWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-9-4-10(2)6-11(5-9)14(15)13-7-12(16-3)8-17-13/h4-8H,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone has a molecular weight of 246.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 114963052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).