5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol

C10H9BrO2S — CID 130956494

IUPAC5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
SMILESCOc1c(O)c(CBr)cc2ccsc12
InChIInChI=1S/C10H9BrO2S/c1-13-9-8(12)7(5-11)4-6-2-3-14-10(6)9/h2-4,12H,5H2,1H3
InChIKeyVNIWZSGJQAWYSQ-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.51
Rot. Bonds2

About 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol

5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol (PubChem CID 130956494) has the molecular formula C10H9BrO2S and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol.

Molecular Properties

Compound Name5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
PubChem CID130956494
Molecular FormulaC10H9BrO2S
Molecular Weight273.15 g/mol
Exact Mass271.95
IUPAC Name5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
SMILESCOc1c(O)c(CBr)cc2ccsc12
InChIInChI=1S/C10H9BrO2S/c1-13-9-8(12)7(5-11)4-6-2-3-14-10(6)9/h2-4,12H,5H2,1H3
InChIKeyVNIWZSGJQAWYSQ-UHFFFAOYSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130821104
7-bromo-5-ethyl-1-benzothiophen-6-ol
CID 130955960
(7-methoxy-1-benzothiophen-6-yl)methanamine
CID 82605317
6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol
CID 131053577
5-(bromomethyl)-7-iodo-1-benzothiophene-6-thiol
CID 130956690
6-bromo-5-(bromomethyl)-1-benzothiophene-7-thiol
CID 131146093
5-fluoro-7-methoxy-1-benzothiophene-6-thiol
CID 131150647
6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene
CID 130855156
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864
6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol
CID 130878622
6-(bromomethyl)-5-sulfanyl-1-benzothiophen-7-ol
CID 131031347
4-(bromomethyl)-6-sulfanyl-1-benzothiophen-7-ol
CID 130792426

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol?
The IUPAC name of 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol (CID 130956494) is 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol.
What is the SMILES notation for 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol?
The canonical SMILES for 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol is COc1c(O)c(CBr)cc2ccsc12.
What is the InChIKey of 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol?
The InChIKey is VNIWZSGJQAWYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2S/c1-13-9-8(12)7(5-11)4-6-2-3-14-10(6)9/h2-4,12H,5H2,1H3.
What are the key properties of 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol?
5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol has a molecular weight of 273.15 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol is sourced from PubChem (CID 130956494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).