(5-chloro-1-benzothiophen-2-yl)methanol

C9H7ClOS — CID 23340421

IUPAC(5-chloro-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2cc(Cl)ccc2s1
InChIInChI=1S/C9H7ClOS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,11H,5H2
InChIKeyFCOZSABHIQGAHY-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.05
Rot. Bonds1

About (5-chloro-1-benzothiophen-2-yl)methanol

(5-chloro-1-benzothiophen-2-yl)methanol (PubChem CID 23340421) has the molecular formula C9H7ClOS and a molecular weight of 198.67 g/mol. Its IUPAC name is (5-chloro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzothiophen-2-yl)methanol
PubChem CID23340421
Molecular FormulaC9H7ClOS
Molecular Weight198.67 g/mol
Exact Mass197.99
IUPAC Name(5-chloro-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2cc(Cl)ccc2s1
InChIInChI=1S/C9H7ClOS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,11H,5H2
InChIKeyFCOZSABHIQGAHY-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (5-chloro-1-benzothiophen-2-yl)methanol (CID 23340421) is (5-chloro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (5-chloro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (5-chloro-1-benzothiophen-2-yl)methanol is OCc1cc2cc(Cl)ccc2s1.
What is the InChIKey of (5-chloro-1-benzothiophen-2-yl)methanol?
The InChIKey is FCOZSABHIQGAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClOS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,11H,5H2.
What are the key properties of (5-chloro-1-benzothiophen-2-yl)methanol?
(5-chloro-1-benzothiophen-2-yl)methanol has a molecular weight of 198.67 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 23340421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).