4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol

C9H6BrClOS — CID 130839795

IUPAC4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol
SMILESOc1c(Cl)cc(CBr)c2ccsc12
InChIInChI=1S/C9H6BrClOS/c10-4-5-3-7(11)8(12)9-6(5)1-2-13-9/h1-3,12H,4H2
InChIKeyUJHOBIIAXNVKRX-UHFFFAOYSA-N
MW277.57 g/mol
LogP4.16
Rot. Bonds1

About 4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol

4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol (PubChem CID 130839795) has the molecular formula C9H6BrClOS and a molecular weight of 277.57 g/mol. Its IUPAC name is 4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol.

Molecular Properties

Compound Name4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol
PubChem CID130839795
Molecular FormulaC9H6BrClOS
Molecular Weight277.57 g/mol
Exact Mass275.90
IUPAC Name4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol
SMILESOc1c(Cl)cc(CBr)c2ccsc12
InChIInChI=1S/C9H6BrClOS/c10-4-5-3-7(11)8(12)9-6(5)1-2-13-9/h1-3,12H,4H2
InChIKeyUJHOBIIAXNVKRX-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

4-(bromomethyl)-6-sulfanyl-1-benzothiophen-7-ol
CID 130792426
6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol
CID 131053577
4-(bromomethyl)-6,7-diiodo-1-benzothiophene
CID 131169476
5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
CID 130956494
7-bromo-4-(bromomethyl)-1-benzothiophene-6-carbonitrile
CID 130969703
4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene
CID 130884289
4-ethyl-6-methyl-1-benzothiophen-7-ol
CID 131219308
6-chloro-4-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 130884788
6-chloro-4-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130792151
(7-chloro-4-iodo-1-benzothiophen-5-yl)methanol
CID 131031169
7-(chloromethyl)-1-benzothiophene-4,5-diol
CID 131191604
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol?
The IUPAC name of 4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol (CID 130839795) is 4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol.
What is the SMILES notation for 4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol?
The canonical SMILES for 4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol is Oc1c(Cl)cc(CBr)c2ccsc12.
What is the InChIKey of 4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol?
The InChIKey is UJHOBIIAXNVKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClOS/c10-4-5-3-7(11)8(12)9-6(5)1-2-13-9/h1-3,12H,4H2.
What are the key properties of 4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol?
4-(bromomethyl)-6-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)-6-chloro-1-benzothiophen-7-ol is sourced from PubChem (CID 130839795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).