(5-chloro-2-iodo-1-benzothiophen-4-yl)methanol

C9H6ClIOS — CID 131031157

IUPAC(5-chloro-2-iodo-1-benzothiophen-4-yl)methanol
SMILESOCc1c(Cl)ccc2sc(I)cc12
InChIInChI=1S/C9H6ClIOS/c10-7-1-2-8-5(6(7)4-12)3-9(11)13-8/h1-3,12H,4H2
InChIKeyCIEULJZISWCUFG-UHFFFAOYSA-N
MW324.57 g/mol
LogP3.65
Rot. Bonds1

About (5-chloro-2-iodo-1-benzothiophen-4-yl)methanol

(5-chloro-2-iodo-1-benzothiophen-4-yl)methanol (PubChem CID 131031157) has the molecular formula C9H6ClIOS and a molecular weight of 324.57 g/mol. Its IUPAC name is (5-chloro-2-iodo-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-iodo-1-benzothiophen-4-yl)methanol
PubChem CID131031157
Molecular FormulaC9H6ClIOS
Molecular Weight324.57 g/mol
Exact Mass323.89
IUPAC Name(5-chloro-2-iodo-1-benzothiophen-4-yl)methanol
SMILESOCc1c(Cl)ccc2sc(I)cc12
InChIInChI=1S/C9H6ClIOS/c10-7-1-2-8-5(6(7)4-12)3-9(11)13-8/h1-3,12H,4H2
InChIKeyCIEULJZISWCUFG-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodo-1-benzothiophen-4-yl)methanol?
The IUPAC name of (5-chloro-2-iodo-1-benzothiophen-4-yl)methanol (CID 131031157) is (5-chloro-2-iodo-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (5-chloro-2-iodo-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (5-chloro-2-iodo-1-benzothiophen-4-yl)methanol is OCc1c(Cl)ccc2sc(I)cc12.
What is the InChIKey of (5-chloro-2-iodo-1-benzothiophen-4-yl)methanol?
The InChIKey is CIEULJZISWCUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIOS/c10-7-1-2-8-5(6(7)4-12)3-9(11)13-8/h1-3,12H,4H2.
What are the key properties of (5-chloro-2-iodo-1-benzothiophen-4-yl)methanol?
(5-chloro-2-iodo-1-benzothiophen-4-yl)methanol has a molecular weight of 324.57 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodo-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 131031157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).