2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol

C9H6BrClOS — CID 130806016

IUPAC2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol
SMILESOc1cc2sc(CBr)cc2cc1Cl
InChIInChI=1S/C9H6BrClOS/c10-4-6-1-5-2-7(11)8(12)3-9(5)13-6/h1-3,12H,4H2
InChIKeyVVEVFLFGMVBZKJ-UHFFFAOYSA-N
MW277.57 g/mol
LogP4.16
Rot. Bonds1

About 2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol

2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol (PubChem CID 130806016) has the molecular formula C9H6BrClOS and a molecular weight of 277.57 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol
PubChem CID130806016
Molecular FormulaC9H6BrClOS
Molecular Weight277.57 g/mol
Exact Mass275.90
IUPAC Name2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol
SMILESOc1cc2sc(CBr)cc2cc1Cl
InChIInChI=1S/C9H6BrClOS/c10-4-6-1-5-2-7(11)8(12)3-9(5)13-6/h1-3,12H,4H2
InChIKeyVVEVFLFGMVBZKJ-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene
CID 131014328
5-amino-2-(bromomethyl)-1-benzothiophene-6-thiol
CID 130805471
2-(bromomethyl)-7-chloro-5-ethyl-1-benzothiophene
CID 131122564
2-(bromomethyl)-5-fluoro-6-methylsulfanyl-1-benzothiophene
CID 130985198
5-bromo-2-(bromomethyl)-1-benzothiophene-6-carbaldehyde
CID 131080293
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-6-amine
CID 130884983
2-(bromomethyl)-5-methyl-1-benzothiophene-6-carbonitrile
CID 131034293
2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine
CID 130898343
2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol
CID 130971703
6-chloro-2-benzofuran-5-ol
CID 135240566
2-(chloromethyl)-6-ethyl-1-benzothiophen-5-ol
CID 130969973
2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile
CID 130877320

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol?
The IUPAC name of 2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol (CID 130806016) is 2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol?
The canonical SMILES for 2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol is Oc1cc2sc(CBr)cc2cc1Cl.
What is the InChIKey of 2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol?
The InChIKey is VVEVFLFGMVBZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClOS/c10-4-6-1-5-2-7(11)8(12)3-9(5)13-6/h1-3,12H,4H2.
What are the key properties of 2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol?
2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol has a molecular weight of 277.57 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol is sourced from PubChem (CID 130806016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).