2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol

C10H9BrO2S — CID 131031026

IUPAC2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol
SMILESCOc1ccc2c(O)c(CBr)sc2c1
InChIInChI=1S/C10H9BrO2S/c1-13-6-2-3-7-8(4-6)14-9(5-11)10(7)12/h2-4,12H,5H2,1H3
InChIKeyNDERBRRYXITYMZ-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.51
Rot. Bonds2

About 2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol

2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol (PubChem CID 131031026) has the molecular formula C10H9BrO2S and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol
PubChem CID131031026
Molecular FormulaC10H9BrO2S
Molecular Weight273.15 g/mol
Exact Mass271.95
IUPAC Name2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol
SMILESCOc1ccc2c(O)c(CBr)sc2c1
InChIInChI=1S/C10H9BrO2S/c1-13-6-2-3-7-8(4-6)14-9(5-11)10(7)12/h2-4,12H,5H2,1H3
InChIKeyNDERBRRYXITYMZ-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': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
CID 102972175
2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130969587
2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol
CID 130803524
N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972146
3-cycloheptyl-6-methoxy-2-methyl-1-benzothiophene
CID 69482888
2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid
CID 83912133
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
6-bromo-3-methoxydibenzothiophene
CID 54757061
2-(hydroxymethyl)-1-benzothiophene-3,6-diol
CID 130803251
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
6-bromo-1-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]hexan-1-one
CID 15365525
3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 11326918

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol?
The IUPAC name of 2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol (CID 131031026) is 2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol.
What is the SMILES notation for 2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol?
The canonical SMILES for 2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol is COc1ccc2c(O)c(CBr)sc2c1.
What is the InChIKey of 2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol?
The InChIKey is NDERBRRYXITYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2S/c1-13-6-2-3-7-8(4-6)14-9(5-11)10(7)12/h2-4,12H,5H2,1H3.
What are the key properties of 2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol?
2-(bromomethyl)-6-methoxy-1-benzothiophen-3-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 2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol is sourced from PubChem (CID 131031026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).