4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol

C9H6BrClOS — CID 131031214

IUPAC4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol
SMILESOc1csc2cc(Cl)cc(CBr)c12
InChIInChI=1S/C9H6BrClOS/c10-3-5-1-6(11)2-8-9(5)7(12)4-13-8/h1-2,4,12H,3H2
InChIKeyRYUBEMXADJUQRM-UHFFFAOYSA-N
MW277.57 g/mol
LogP4.16
Rot. Bonds1

About 4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol

4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol (PubChem CID 131031214) has the molecular formula C9H6BrClOS and a molecular weight of 277.57 g/mol. Its IUPAC name is 4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol
PubChem CID131031214
Molecular FormulaC9H6BrClOS
Molecular Weight277.57 g/mol
Exact Mass275.90
IUPAC Name4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol
SMILESOc1csc2cc(Cl)cc(CBr)c12
InChIInChI=1S/C9H6BrClOS/c10-3-5-1-6(11)2-8-9(5)7(12)4-13-8/h1-2,4,12H,3H2
InChIKeyRYUBEMXADJUQRM-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': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol
CID 130884325
6-bromo-4-(hydroxymethyl)-1-benzothiophen-3-ol
CID 130970840
[3-(bromomethyl)-4-chloro-1-benzothiophen-6-yl]methanol
CID 131014350
5-(bromomethyl)-1-benzothiophene-3,6-diol
CID 131191603
4-(bromomethyl)-3-chloro-1-benzothiophen-6-amine
CID 130878499
2-(bromomethyl)-4-chlorophenol
CID 67740326
3-(bromomethyl)-5-chloro-1-benzothiophen-4-ol
CID 130792713
4-ethyl-6-fluoro-1-benzothiophen-3-ol
CID 130826695
6-chloro-3-methoxy-1-benzothiophen-4-ol
CID 130970027
6-chloro-3-nitro-1-benzothiophen-4-ol
CID 131146132
4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol
CID 130792308
3-(bromomethyl)-4-chloro-5-fluoro-1-benzothiophene
CID 131075995

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol?
The IUPAC name of 4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol (CID 131031214) is 4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol.
What is the SMILES notation for 4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol?
The canonical SMILES for 4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol is Oc1csc2cc(Cl)cc(CBr)c12.
What is the InChIKey of 4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol?
The InChIKey is RYUBEMXADJUQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClOS/c10-3-5-1-6(11)2-8-9(5)7(12)4-13-8/h1-2,4,12H,3H2.
What are the key properties of 4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol?
4-(bromomethyl)-6-chloro-1-benzothiophen-3-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 4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol is sourced from PubChem (CID 131031214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).