2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene

C13H14O2S — CID 129157025

IUPAC2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene
SMILESCOCc1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C13H14O2S/c1-14-9-12-7-8-13(16-12)10-3-5-11(15-2)6-4-10/h3-8H,9H2,1-2H3
InChIKeyJIKBHFOETVGRDW-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.57
Rot. Bonds4

About 2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene

2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene (PubChem CID 129157025) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene
PubChem CID129157025
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene
SMILESCOCc1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C13H14O2S/c1-14-9-12-7-8-13(16-12)10-3-5-11(15-2)6-4-10/h3-8H,9H2,1-2H3
InChIKeyJIKBHFOETVGRDW-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene?
The IUPAC name of 2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene (CID 129157025) is 2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene.
What is the SMILES notation for 2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene?
The canonical SMILES for 2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene is COCc1ccc(-c2ccc(OC)cc2)s1.
What is the InChIKey of 2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene?
The InChIKey is JIKBHFOETVGRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-14-9-12-7-8-13(16-12)10-3-5-11(15-2)6-4-10/h3-8H,9H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene?
2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene has a molecular weight of 234.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene is sourced from PubChem (CID 129157025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).