4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol

C9H6BrClOS — CID 130792308

IUPAC4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol
SMILESOc1ccc(CBr)c2c(Cl)csc12
InChIInChI=1S/C9H6BrClOS/c10-3-5-1-2-7(12)9-8(5)6(11)4-13-9/h1-2,4,12H,3H2
InChIKeyOKFVSKFXCFYQIY-UHFFFAOYSA-N
MW277.57 g/mol
LogP4.16
Rot. Bonds1

About 4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol

4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol (PubChem CID 130792308) has the molecular formula C9H6BrClOS and a molecular weight of 277.57 g/mol. Its IUPAC name is 4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol.

Molecular Properties

Compound Name4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol
PubChem CID130792308
Molecular FormulaC9H6BrClOS
Molecular Weight277.57 g/mol
Exact Mass275.90
IUPAC Name4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol
SMILESOc1ccc(CBr)c2c(Cl)csc12
InChIInChI=1S/C9H6BrClOS/c10-3-5-1-2-7(12)9-8(5)6(11)4-13-9/h1-2,4,12H,3H2
InChIKeyOKFVSKFXCFYQIY-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

3-(bromomethyl)-4,7-dichloro-1-benzothiophene
CID 91881957
3-(bromomethyl)-5-chloro-1-benzothiophen-4-ol
CID 130792713
4-chloro-3-ethoxy-1-benzothiophen-7-ol
CID 131060322
3-(bromomethyl)-7-chloro-1-benzothiophen-4-amine
CID 91881962
4-ethyl-3-sulfanyl-1-benzothiophen-7-ol
CID 131123131
3-chloro-7-(difluoromethyl)-1-benzothiophen-4-ol
CID 130792661
3-chloro-7-(chloromethyl)-1-benzothiophen-4-amine
CID 130969549
7-(chloromethyl)-3-fluoro-1-benzothiophen-4-ol
CID 131060182
7-(hydroxymethyl)-1-benzothiophene-3,4-diol
CID 130803250
3-bromo-4-fluoro-1-benzothiophen-7-ol
CID 131053544
2-(bromomethyl)-4-chlorophenol
CID 67740326
4-(bromomethyl)-3-chloro-1-benzothiophen-6-amine
CID 130878499

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol?
The IUPAC name of 4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol (CID 130792308) is 4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol.
What is the SMILES notation for 4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol?
The canonical SMILES for 4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol is Oc1ccc(CBr)c2c(Cl)csc12.
What is the InChIKey of 4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol?
The InChIKey is OKFVSKFXCFYQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClOS/c10-3-5-1-2-7(12)9-8(5)6(11)4-13-9/h1-2,4,12H,3H2.
What are the key properties of 4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol?
4-(bromomethyl)-3-chloro-1-benzothiophen-7-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)-3-chloro-1-benzothiophen-7-ol is sourced from PubChem (CID 130792308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).