bis(5-chloro-4-methoxythiophen-2-yl)methanone

C11H8Cl2O3S2 — CID 174849819

IUPACbis(5-chloro-4-methoxythiophen-2-yl)methanone
SMILESCOc1cc(C(=O)c2cc(OC)c(Cl)s2)sc1Cl
InChIInChI=1S/C11H8Cl2O3S2/c1-15-5-3-7(17-10(5)12)9(14)8-4-6(16-2)11(13)18-8/h3-4H,1-2H3
InChIKeyXVDRRXCBOBJTEV-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.36
Rot. Bonds4

About bis(5-chloro-4-methoxythiophen-2-yl)methanone

bis(5-chloro-4-methoxythiophen-2-yl)methanone (PubChem CID 174849819) has the molecular formula C11H8Cl2O3S2 and a molecular weight of 323.22 g/mol. Its IUPAC name is bis(5-chloro-4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Namebis(5-chloro-4-methoxythiophen-2-yl)methanone
PubChem CID174849819
Molecular FormulaC11H8Cl2O3S2
Molecular Weight323.22 g/mol
Exact Mass321.93
IUPAC Namebis(5-chloro-4-methoxythiophen-2-yl)methanone
SMILESCOc1cc(C(=O)c2cc(OC)c(Cl)s2)sc1Cl
InChIInChI=1S/C11H8Cl2O3S2/c1-15-5-3-7(17-10(5)12)9(14)8-4-6(16-2)11(13)18-8/h3-4H,1-2H3
InChIKeyXVDRRXCBOBJTEV-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-4-methoxythiophen-2-yl)methanone?
The IUPAC name of bis(5-chloro-4-methoxythiophen-2-yl)methanone (CID 174849819) is bis(5-chloro-4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for bis(5-chloro-4-methoxythiophen-2-yl)methanone?
The canonical SMILES for bis(5-chloro-4-methoxythiophen-2-yl)methanone is COc1cc(C(=O)c2cc(OC)c(Cl)s2)sc1Cl.
What is the InChIKey of bis(5-chloro-4-methoxythiophen-2-yl)methanone?
The InChIKey is XVDRRXCBOBJTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O3S2/c1-15-5-3-7(17-10(5)12)9(14)8-4-6(16-2)11(13)18-8/h3-4H,1-2H3.
What are the key properties of bis(5-chloro-4-methoxythiophen-2-yl)methanone?
bis(5-chloro-4-methoxythiophen-2-yl)methanone has a molecular weight of 323.22 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloro-4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 174849819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).