2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene

C14H16O2S — CID 59921100

IUPAC2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
SMILESCOc1cc(C)c(C)cc1OCc1cccs1
InChIInChI=1S/C14H16O2S/c1-10-7-13(15-3)14(8-11(10)2)16-9-12-5-4-6-17-12/h4-8H,9H2,1-3H3
InChIKeyOIJYZHRTKQPXQG-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.95
Rot. Bonds4

About 2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene

2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene (PubChem CID 59921100) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene.

Molecular Properties

Compound Name2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
PubChem CID59921100
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
SMILESCOc1cc(C)c(C)cc1OCc1cccs1
InChIInChI=1S/C14H16O2S/c1-10-7-13(15-3)14(8-11(10)2)16-9-12-5-4-6-17-12/h4-8H,9H2,1-3H3
InChIKeyOIJYZHRTKQPXQG-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
2-[(2,5-dimethylphenoxy)methyl]thiophene
CID 112725392
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
2-[[4-(bromomethyl)-2-methoxy-5-nitrophenoxy]methyl]thiophene
CID 43311798
tert-butyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 6965110
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 113386918
2-(methoxymethyl)thiophene
CID 10240820
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 6463534
2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54931143
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene?
The IUPAC name of 2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene (CID 59921100) is 2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene.
What is the SMILES notation for 2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene?
The canonical SMILES for 2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene is COc1cc(C)c(C)cc1OCc1cccs1.
What is the InChIKey of 2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene?
The InChIKey is OIJYZHRTKQPXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-10-7-13(15-3)14(8-11(10)2)16-9-12-5-4-6-17-12/h4-8H,9H2,1-3H3.
What are the key properties of 2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene?
2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene has a molecular weight of 248.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene is sourced from PubChem (CID 59921100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).