2-(2-chloro-5-methoxyphenyl)thiophene

C11H9ClOS — CID 172555781

IUPAC2-(2-chloro-5-methoxyphenyl)thiophene
SMILESCOc1ccc(Cl)c(-c2cccs2)c1
InChIInChI=1S/C11H9ClOS/c1-13-8-4-5-10(12)9(7-8)11-3-2-6-14-11/h2-7H,1H3
InChIKeyWBECIFIWJSYTOI-UHFFFAOYSA-N
MW224.71 g/mol
LogP4.08
Rot. Bonds2

About 2-(2-chloro-5-methoxyphenyl)thiophene

2-(2-chloro-5-methoxyphenyl)thiophene (PubChem CID 172555781) has the molecular formula C11H9ClOS and a molecular weight of 224.71 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyphenyl)thiophene
PubChem CID172555781
Molecular FormulaC11H9ClOS
Molecular Weight224.71 g/mol
Exact Mass224.01
IUPAC Name2-(2-chloro-5-methoxyphenyl)thiophene
SMILESCOc1ccc(Cl)c(-c2cccs2)c1
InChIInChI=1S/C11H9ClOS/c1-13-8-4-5-10(12)9(7-8)11-3-2-6-14-11/h2-7H,1H3
InChIKeyWBECIFIWJSYTOI-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxyphenyl)thiophene?
The IUPAC name of 2-(2-chloro-5-methoxyphenyl)thiophene (CID 172555781) is 2-(2-chloro-5-methoxyphenyl)thiophene.
What is the SMILES notation for 2-(2-chloro-5-methoxyphenyl)thiophene?
The canonical SMILES for 2-(2-chloro-5-methoxyphenyl)thiophene is COc1ccc(Cl)c(-c2cccs2)c1.
What is the InChIKey of 2-(2-chloro-5-methoxyphenyl)thiophene?
The InChIKey is WBECIFIWJSYTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOS/c1-13-8-4-5-10(12)9(7-8)11-3-2-6-14-11/h2-7H,1H3.
What are the key properties of 2-(2-chloro-5-methoxyphenyl)thiophene?
2-(2-chloro-5-methoxyphenyl)thiophene has a molecular weight of 224.71 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyphenyl)thiophene is sourced from PubChem (CID 172555781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).