2-[(2,5-dimethylphenoxy)methyl]thiophene

C13H14OS — CID 112725392

IUPAC2-[(2,5-dimethylphenoxy)methyl]thiophene
SMILESCc1ccc(C)c(OCc2cccs2)c1
InChIInChI=1S/C13H14OS/c1-10-5-6-11(2)13(8-10)14-9-12-4-3-7-15-12/h3-8H,9H2,1-2H3
InChIKeyGRXKEXACDGRUSV-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.94
Rot. Bonds3

About 2-[(2,5-dimethylphenoxy)methyl]thiophene

2-[(2,5-dimethylphenoxy)methyl]thiophene (PubChem CID 112725392) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]thiophene.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]thiophene
PubChem CID112725392
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]thiophene
SMILESCc1ccc(C)c(OCc2cccs2)c1
InChIInChI=1S/C13H14OS/c1-10-5-6-11(2)13(8-10)14-9-12-4-3-7-15-12/h3-8H,9H2,1-2H3
InChIKeyGRXKEXACDGRUSV-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
CID 59921100
(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 43504951
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326619
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 113386918
4-methyl-3-(2-thiophen-2-ylethoxy)aniline
CID 63776205
3-methyl-5-(thiophen-2-ylmethoxy)phenol
CID 107680166
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242940
2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39381817
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 54966518
[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764668

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]thiophene?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]thiophene (CID 112725392) is 2-[(2,5-dimethylphenoxy)methyl]thiophene.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]thiophene?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]thiophene is Cc1ccc(C)c(OCc2cccs2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]thiophene?
The InChIKey is GRXKEXACDGRUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-10-5-6-11(2)13(8-10)14-9-12-4-3-7-15-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]thiophene?
2-[(2,5-dimethylphenoxy)methyl]thiophene has a molecular weight of 218.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenoxy)methyl]thiophene is sourced from PubChem (CID 112725392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).