(7-chloro-3-iodo-1-benzothiophen-5-yl)methanol

C9H6ClIOS — CID 131053982

IUPAC(7-chloro-3-iodo-1-benzothiophen-5-yl)methanol
SMILESOCc1cc(Cl)c2scc(I)c2c1
InChIInChI=1S/C9H6ClIOS/c10-7-2-5(3-12)1-6-8(11)4-13-9(6)7/h1-2,4,12H,3H2
InChIKeyRONQSDPAXKUJJL-UHFFFAOYSA-N
MW324.57 g/mol
LogP3.65
Rot. Bonds1

About (7-chloro-3-iodo-1-benzothiophen-5-yl)methanol

(7-chloro-3-iodo-1-benzothiophen-5-yl)methanol (PubChem CID 131053982) has the molecular formula C9H6ClIOS and a molecular weight of 324.57 g/mol. Its IUPAC name is (7-chloro-3-iodo-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(7-chloro-3-iodo-1-benzothiophen-5-yl)methanol
PubChem CID131053982
Molecular FormulaC9H6ClIOS
Molecular Weight324.57 g/mol
Exact Mass323.89
IUPAC Name(7-chloro-3-iodo-1-benzothiophen-5-yl)methanol
SMILESOCc1cc(Cl)c2scc(I)c2c1
InChIInChI=1S/C9H6ClIOS/c10-7-2-5(3-12)1-6-8(11)4-13-9(6)7/h1-2,4,12H,3H2
InChIKeyRONQSDPAXKUJJL-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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Related Compounds

3,7-dichloro-5-(chloromethyl)-1-benzothiophene
CID 131169653
5,7-diethyl-3-iodo-1-benzothiophene
CID 131076013
(3,4,5-trichlorophenyl)methanol
CID 23424143
(7-chloro-4-iodo-1-benzothiophen-5-yl)methanol
CID 131031169
3-bromo-5-(chloromethyl)-7-iodo-1-benzothiophene
CID 130884972
(3,4,5-triiodophenyl)methanol
CID 53401071
(5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol
CID 130816909
[3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol
CID 131986199
(5-chloro-6-iodo-3-pyridinyl)methanol
CID 58001734
3-iodo-5,7-dimethyl-1-benzothiophene
CID 131053740
[3-(bromomethyl)-4-chloro-1-benzothiophen-6-yl]methanol
CID 131014350
7-fluoro-5-(hydroxymethyl)-1-benzothiophene-3-carbaldehyde
CID 130971815

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-iodo-1-benzothiophen-5-yl)methanol?
The IUPAC name of (7-chloro-3-iodo-1-benzothiophen-5-yl)methanol (CID 131053982) is (7-chloro-3-iodo-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (7-chloro-3-iodo-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (7-chloro-3-iodo-1-benzothiophen-5-yl)methanol is OCc1cc(Cl)c2scc(I)c2c1.
What is the InChIKey of (7-chloro-3-iodo-1-benzothiophen-5-yl)methanol?
The InChIKey is RONQSDPAXKUJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIOS/c10-7-2-5(3-12)1-6-8(11)4-13-9(6)7/h1-2,4,12H,3H2.
What are the key properties of (7-chloro-3-iodo-1-benzothiophen-5-yl)methanol?
(7-chloro-3-iodo-1-benzothiophen-5-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 (7-chloro-3-iodo-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 131053982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).