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

C20H20O4S — CID 53388353

IUPAC3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
SMILESCOc1ccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H20O4S/c1-21-15-7-5-13(6-8-15)16-11-25-12-17(16)14-9-18(22-2)20(24-4)19(10-14)23-3/h5-12H,1-4H3
InChIKeyJNKLVWHBRNGXQH-UHFFFAOYSA-N
MW356.44 g/mol
LogP5.12
Rot. Bonds6

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

3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene (PubChem CID 53388353) has the molecular formula C20H20O4S and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
PubChem CID53388353
Molecular FormulaC20H20O4S
Molecular Weight356.44 g/mol
Exact Mass356.11
IUPAC Name3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
SMILESCOc1ccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H20O4S/c1-21-15-7-5-13(6-8-15)16-11-25-12-17(16)14-9-18(22-2)20(24-4)19(10-14)23-3/h5-12H,1-4H3
InChIKeyJNKLVWHBRNGXQH-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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Related Compounds

3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 172676310
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 91024089
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene
CID 10741585
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine
CID 143768925
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
The IUPAC name of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene (CID 53388353) is 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene is COc1ccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
The InChIKey is JNKLVWHBRNGXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4S/c1-21-15-7-5-13(6-8-15)16-11-25-12-17(16)14-9-18(22-2)20(24-4)19(10-14)23-3/h5-12H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
3-(4-methoxyphenyl)-4-(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)-4-(3,4,5-trimethoxyphenyl)thiophene is sourced from PubChem (CID 53388353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).