2,5-bis(4-methoxyphenyl)thiophene

C18H16O2S — CID 3552928

IUPAC2,5-bis(4-methoxyphenyl)thiophene
SMILESCOc1ccc(-c2ccc(-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C18H16O2S/c1-19-15-7-3-13(4-8-15)17-11-12-18(21-17)14-5-9-16(20-2)10-6-14/h3-12H,1-2H3
InChIKeySNVBIBDQUGLRIV-UHFFFAOYSA-N
MW296.39 g/mol
LogP5.10
Rot. Bonds4

About 2,5-bis(4-methoxyphenyl)thiophene

2,5-bis(4-methoxyphenyl)thiophene (PubChem CID 3552928) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)thiophene
PubChem CID3552928
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name2,5-bis(4-methoxyphenyl)thiophene
SMILESCOc1ccc(-c2ccc(-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C18H16O2S/c1-19-15-7-3-13(4-8-15)17-11-12-18(21-17)14-5-9-16(20-2)10-6-14/h3-12H,1-2H3
InChIKeySNVBIBDQUGLRIV-UHFFFAOYSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)thiophene?
The IUPAC name of 2,5-bis(4-methoxyphenyl)thiophene (CID 3552928) is 2,5-bis(4-methoxyphenyl)thiophene.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)thiophene?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)thiophene is COc1ccc(-c2ccc(-c3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)thiophene?
The InChIKey is SNVBIBDQUGLRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-19-15-7-3-13(4-8-15)17-11-12-18(21-17)14-5-9-16(20-2)10-6-14/h3-12H,1-2H3.
What are the key properties of 2,5-bis(4-methoxyphenyl)thiophene?
2,5-bis(4-methoxyphenyl)thiophene has a molecular weight of 296.39 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)thiophene is sourced from PubChem (CID 3552928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).