(4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone

C15H11ClOS2 — CID 2820401

IUPAC(4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone
SMILESCc1csc2sc(C(=O)c3ccc(Cl)cc3)c(C)c12
InChIInChI=1S/C15H11ClOS2/c1-8-7-18-15-12(8)9(2)14(19-15)13(17)10-3-5-11(16)6-4-10/h3-7H,1-2H3
InChIKeyZIPXQZFAYXSTRC-UHFFFAOYSA-N
MW306.84 g/mol
LogP5.46
Rot. Bonds2

About (4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone

(4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone (PubChem CID 2820401) has the molecular formula C15H11ClOS2 and a molecular weight of 306.84 g/mol. Its IUPAC name is (4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone
PubChem CID2820401
Molecular FormulaC15H11ClOS2
Molecular Weight306.84 g/mol
Exact Mass305.99
IUPAC Name(4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone
SMILESCc1csc2sc(C(=O)c3ccc(Cl)cc3)c(C)c12
InChIInChI=1S/C15H11ClOS2/c1-8-7-18-15-12(8)9(2)14(19-15)13(17)10-3-5-11(16)6-4-10/h3-7H,1-2H3
InChIKeyZIPXQZFAYXSTRC-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone (CID 2820401) is (4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone is Cc1csc2sc(C(=O)c3ccc(Cl)cc3)c(C)c12.
What is the InChIKey of (4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone?
The InChIKey is ZIPXQZFAYXSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClOS2/c1-8-7-18-15-12(8)9(2)14(19-15)13(17)10-3-5-11(16)6-4-10/h3-7H,1-2H3.
What are the key properties of (4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone?
(4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone has a molecular weight of 306.84 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methanone is sourced from PubChem (CID 2820401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).