3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene

C16H16O2S3 — CID 10568899

IUPAC3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene
SMILESCOc1cc(-c2ccc(-c3cc(OC)c(C)s3)s2)sc1C
InChIInChI=1S/C16H16O2S3/c1-9-11(17-3)7-15(19-9)13-5-6-14(21-13)16-8-12(18-4)10(2)20-16/h5-8H,1-4H3
InChIKeyXVNJADUOOFFYHM-UHFFFAOYSA-N
MW336.50 g/mol
LogP5.84
Rot. Bonds4

About 3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene

3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene (PubChem CID 10568899) has the molecular formula C16H16O2S3 and a molecular weight of 336.50 g/mol. Its IUPAC name is 3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene.

Molecular Properties

Compound Name3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene
PubChem CID10568899
Molecular FormulaC16H16O2S3
Molecular Weight336.50 g/mol
Exact Mass336.03
IUPAC Name3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene
SMILESCOc1cc(-c2ccc(-c3cc(OC)c(C)s3)s2)sc1C
InChIInChI=1S/C16H16O2S3/c1-9-11(17-3)7-15(19-9)13-5-6-14(21-13)16-8-12(18-4)10(2)20-16/h5-8H,1-4H3
InChIKeyXVNJADUOOFFYHM-UHFFFAOYSA-N
XLogP5.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.50
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene?
The IUPAC name of 3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene (CID 10568899) is 3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene.
What is the SMILES notation for 3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene?
The canonical SMILES for 3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene is COc1cc(-c2ccc(-c3cc(OC)c(C)s3)s2)sc1C.
What is the InChIKey of 3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene?
The InChIKey is XVNJADUOOFFYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S3/c1-9-11(17-3)7-15(19-9)13-5-6-14(21-13)16-8-12(18-4)10(2)20-16/h5-8H,1-4H3.
What are the key properties of 3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene?
3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene has a molecular weight of 336.50 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[5-(4-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]-2-methylthiophene is sourced from PubChem (CID 10568899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).