3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene

C20H20O4S — CID 44814550

IUPAC3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene
SMILESCOc1ccc(-c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H20O4S/c1-21-15-7-5-13(6-8-15)16-9-10-25-20(16)14-11-17(22-2)19(24-4)18(12-14)23-3/h5-12H,1-4H3
InChIKeyMNZFMAGOKVXUPD-UHFFFAOYSA-N
MW356.44 g/mol
LogP5.12
Rot. Bonds6

About 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene

3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene (PubChem CID 44814550) has the molecular formula C20H20O4S and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene
PubChem CID44814550
Molecular FormulaC20H20O4S
Molecular Weight356.44 g/mol
Exact Mass356.11
IUPAC Name3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene
SMILESCOc1ccc(-c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H20O4S/c1-21-15-7-5-13(6-8-15)16-9-10-25-20(16)14-11-17(22-2)19(24-4)18(12-14)23-3/h5-12H,1-4H3
InChIKeyMNZFMAGOKVXUPD-UHFFFAOYSA-N
XLogP5.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene?
The IUPAC name of 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene (CID 44814550) is 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene is COc1ccc(-c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene?
The InChIKey is MNZFMAGOKVXUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4S/c1-21-15-7-5-13(6-8-15)16-9-10-25-20(16)14-11-17(22-2)19(24-4)18(12-14)23-3/h5-12H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene?
3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene has a molecular weight of 356.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiophene is sourced from PubChem (CID 44814550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).