2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol

C11H11ClOS — CID 117121243

IUPAC2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol
SMILESCC(C)(O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C11H11ClOS/c1-11(2,13)10-6-7-5-8(12)3-4-9(7)14-10/h3-6,13H,1-2H3
InChIKeyPREYDCKSUVOXHN-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.78
Rot. Bonds1

About 2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol

2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol (PubChem CID 117121243) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol
PubChem CID117121243
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol
SMILESCC(C)(O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C11H11ClOS/c1-11(2,13)10-6-7-5-8(12)3-4-9(7)14-10/h3-6,13H,1-2H3
InChIKeyPREYDCKSUVOXHN-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol?
The IUPAC name of 2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol (CID 117121243) is 2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol is CC(C)(O)c1cc2cc(Cl)ccc2s1.
What is the InChIKey of 2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol?
The InChIKey is PREYDCKSUVOXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-11(2,13)10-6-7-5-8(12)3-4-9(7)14-10/h3-6,13H,1-2H3.
What are the key properties of 2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol?
2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol has a molecular weight of 226.73 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 117121243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).