(4-chlorophenyl)-thiophen-3-ylmethanone

C11H7ClOS — CID 15812442

IUPAC(4-chlorophenyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C11H7ClOS/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-7H
InChIKeyIFRXOWGOSPXHTG-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.63
Rot. Bonds2

About (4-chlorophenyl)-thiophen-3-ylmethanone

(4-chlorophenyl)-thiophen-3-ylmethanone (PubChem CID 15812442) has the molecular formula C11H7ClOS and a molecular weight of 222.70 g/mol. Its IUPAC name is (4-chlorophenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-chlorophenyl)-thiophen-3-ylmethanone
PubChem CID15812442
Molecular FormulaC11H7ClOS
Molecular Weight222.70 g/mol
Exact Mass221.99
IUPAC Name(4-chlorophenyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C11H7ClOS/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-7H
InChIKeyIFRXOWGOSPXHTG-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-thiophen-3-ylmethanone?
The IUPAC name of (4-chlorophenyl)-thiophen-3-ylmethanone (CID 15812442) is (4-chlorophenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-chlorophenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-chlorophenyl)-thiophen-3-ylmethanone is O=C(c1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of (4-chlorophenyl)-thiophen-3-ylmethanone?
The InChIKey is IFRXOWGOSPXHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClOS/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-7H.
What are the key properties of (4-chlorophenyl)-thiophen-3-ylmethanone?
(4-chlorophenyl)-thiophen-3-ylmethanone has a molecular weight of 222.70 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 15812442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).