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

C18H18O2S2 — CID 101242675

IUPAC3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene
SMILESCOc1cc(C)sc1-c1ccc(-c2sc(C)cc2OC)cc1
InChIInChI=1S/C18H18O2S2/c1-11-9-15(19-3)17(21-11)13-5-7-14(8-6-13)18-16(20-4)10-12(2)22-18/h5-10H,1-4H3
InChIKeyMKNDNFTUQXSSID-UHFFFAOYSA-N
MW330.47 g/mol
LogP5.78
Rot. Bonds4

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

3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene (PubChem CID 101242675) has the molecular formula C18H18O2S2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene.

Molecular Properties

Compound Name3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene
PubChem CID101242675
Molecular FormulaC18H18O2S2
Molecular Weight330.47 g/mol
Exact Mass330.07
IUPAC Name3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene
SMILESCOc1cc(C)sc1-c1ccc(-c2sc(C)cc2OC)cc1
InChIInChI=1S/C18H18O2S2/c1-11-9-15(19-3)17(21-11)13-5-7-14(8-6-13)18-16(20-4)10-12(2)22-18/h5-10H,1-4H3
InChIKeyMKNDNFTUQXSSID-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene?
The IUPAC name of 3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene (CID 101242675) is 3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene.
What is the SMILES notation for 3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene?
The canonical SMILES for 3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene is COc1cc(C)sc1-c1ccc(-c2sc(C)cc2OC)cc1.
What is the InChIKey of 3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene?
The InChIKey is MKNDNFTUQXSSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S2/c1-11-9-15(19-3)17(21-11)13-5-7-14(8-6-13)18-16(20-4)10-12(2)22-18/h5-10H,1-4H3.
What are the key properties of 3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene?
3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene has a molecular weight of 330.47 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene is sourced from PubChem (CID 101242675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).