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

C20H19FO4S — CID 53388183

IUPAC3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
SMILESCOc1cccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)c1F
InChIInChI=1S/C20H19FO4S/c1-22-16-7-5-6-13(19(16)21)15-11-26-10-14(15)12-8-17(23-2)20(25-4)18(9-12)24-3/h5-11H,1-4H3
InChIKeyDGFKAXFAMMRIHG-UHFFFAOYSA-N
MW374.43 g/mol
LogP5.26
Rot. Bonds6

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

3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene (PubChem CID 53388183) has the molecular formula C20H19FO4S and a molecular weight of 374.43 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
PubChem CID53388183
Molecular FormulaC20H19FO4S
Molecular Weight374.43 g/mol
Exact Mass374.10
IUPAC Name3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
SMILESCOc1cccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)c1F
InChIInChI=1S/C20H19FO4S/c1-22-16-7-5-6-13(19(16)21)15-11-26-10-14(15)12-8-17(23-2)20(25-4)18(9-12)24-3/h5-11H,1-4H3
InChIKeyDGFKAXFAMMRIHG-UHFFFAOYSA-N
XLogP5.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene (CID 53388183) is 3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene is COc1cccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
The InChIKey is DGFKAXFAMMRIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO4S/c1-22-16-7-5-6-13(19(16)21)15-11-26-10-14(15)12-8-17(23-2)20(25-4)18(9-12)24-3/h5-11H,1-4H3.
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene has a molecular weight of 374.43 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene is sourced from PubChem (CID 53388183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).