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

C9H7ClOS — CID 821965

IUPAC(3-chloro-1-benzothiophen-2-yl)methanol
SMILESOCc1sc2ccccc2c1Cl
InChIInChI=1S/C9H7ClOS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,11H,5H2
InChIKeyCPGKUHFGNJQXKY-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.05
Rot. Bonds1

About (3-chloro-1-benzothiophen-2-yl)methanol

(3-chloro-1-benzothiophen-2-yl)methanol (PubChem CID 821965) has the molecular formula C9H7ClOS and a molecular weight of 198.67 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)methanol
PubChem CID821965
Molecular FormulaC9H7ClOS
Molecular Weight198.67 g/mol
Exact Mass197.99
IUPAC Name(3-chloro-1-benzothiophen-2-yl)methanol
SMILESOCc1sc2ccccc2c1Cl
InChIInChI=1S/C9H7ClOS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,11H,5H2
InChIKeyCPGKUHFGNJQXKY-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 (3-chloro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)methanol (CID 821965) is (3-chloro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)methanol is OCc1sc2ccccc2c1Cl.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)methanol?
The InChIKey is CPGKUHFGNJQXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClOS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,11H,5H2.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)methanol?
(3-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 (3-chloro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 821965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).