4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol

C18H12OS2 — CID 24792636

IUPAC4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol
SMILESOc1ccc(-c2c(-c3ccsc3)sc3ccccc23)cc1
InChIInChI=1S/C18H12OS2/c19-14-7-5-12(6-8-14)17-15-3-1-2-4-16(15)21-18(17)13-9-10-20-11-13/h1-11,19H
InChIKeyQKJRXQCKAGKQET-UHFFFAOYSA-N
MW308.43 g/mol
LogP6.00
Rot. Bonds2

About 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol

4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol (PubChem CID 24792636) has the molecular formula C18H12OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol.

Molecular Properties

Compound Name4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol
PubChem CID24792636
Molecular FormulaC18H12OS2
Molecular Weight308.43 g/mol
Exact Mass308.03
IUPAC Name4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol
SMILESOc1ccc(-c2c(-c3ccsc3)sc3ccccc23)cc1
InChIInChI=1S/C18H12OS2/c19-14-7-5-12(6-8-14)17-15-3-1-2-4-16(15)21-18(17)13-9-10-20-11-13/h1-11,19H
InChIKeyQKJRXQCKAGKQET-UHFFFAOYSA-N
XLogP6.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol?
The IUPAC name of 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol (CID 24792636) is 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol.
What is the SMILES notation for 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol?
The canonical SMILES for 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol is Oc1ccc(-c2c(-c3ccsc3)sc3ccccc23)cc1.
What is the InChIKey of 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol?
The InChIKey is QKJRXQCKAGKQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12OS2/c19-14-7-5-12(6-8-14)17-15-3-1-2-4-16(15)21-18(17)13-9-10-20-11-13/h1-11,19H.
What are the key properties of 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol?
4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol has a molecular weight of 308.43 g/mol, XLogP of 6.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)phenol is sourced from PubChem (CID 24792636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).