3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene

C20H19FO3S — CID 53386464

IUPAC3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
SMILESCOc1cc(-c2cscc2-c2ccc(C)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H19FO3S/c1-12-5-6-13(7-17(12)21)15-10-25-11-16(15)14-8-18(22-2)20(24-4)19(9-14)23-3/h5-11H,1-4H3
InChIKeyBTIGWCDXNLOTAD-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.56
Rot. Bonds5

About 3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene

3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene (PubChem CID 53386464) has the molecular formula C20H19FO3S and a molecular weight of 358.43 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
PubChem CID53386464
Molecular FormulaC20H19FO3S
Molecular Weight358.43 g/mol
Exact Mass358.10
IUPAC Name3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
SMILESCOc1cc(-c2cscc2-c2ccc(C)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H19FO3S/c1-12-5-6-13(7-17(12)21)15-10-25-11-16(15)14-8-18(22-2)20(24-4)19(9-14)23-3/h5-11H,1-4H3
InChIKeyBTIGWCDXNLOTAD-UHFFFAOYSA-N
XLogP5.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388353
(Z)-3-(1-benzothiophen-3-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 118731501
5-{Hydroxy-[2-(3,4,5-trimethoxy-phenyl)-thiophen-3-yl]-methyl}-2-methoxy-phenol
CID 44314972
6-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
CID 44577449
6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
CID 44577450
2-Methoxy-5-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol
CID 53380485
6-[4-(3,4,5-Trimethoxyphenyl)thiophen-3-yl]-2,3-dihydro-1,4-benzodioxine
CID 53387871
3-(2-Fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388183
2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
CID 71463007
3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
CID 127038585
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene
CID 127038940
4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene
CID 127039303

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene (CID 53386464) is 3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene is COc1cc(-c2cscc2-c2ccc(C)c(F)c2)cc(OC)c1OC.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
The InChIKey is BTIGWCDXNLOTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO3S/c1-12-5-6-13(7-17(12)21)15-10-25-11-16(15)14-8-18(22-2)20(24-4)19(9-14)23-3/h5-11H,1-4H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene?
3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene has a molecular weight of 358.43 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene is sourced from PubChem (CID 53386464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).