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

C14H14O2S — CID 81127133

IUPAC(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C14H14O2S/c1-9-4-5-10(2)12(6-9)14(15)13-7-11(16-3)8-17-13/h4-8H,1-3H3
InChIKeyYJFKSAMXVOETPS-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.60
Rot. Bonds3

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

(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone (PubChem CID 81127133) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
PubChem CID81127133
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C14H14O2S/c1-9-4-5-10(2)12(6-9)14(15)13-7-11(16-3)8-17-13/h4-8H,1-3H3
InChIKeyYJFKSAMXVOETPS-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

(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115483503
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 81127335
(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115787659
(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81126532
2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid
CID 81121334
(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462518
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
2-chloro-1-(4-methoxythiophen-2-yl)ethanone
CID 81140445
(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone
CID 116651031

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone (CID 81127133) is (2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
The InChIKey is YJFKSAMXVOETPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-9-4-5-10(2)12(6-9)14(15)13-7-11(16-3)8-17-13/h4-8H,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
(2,5-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 (2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81127133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).