6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol

C9H7BrO2S — CID 131145125

IUPAC6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol
SMILESOCc1c(Br)cc(O)c2ccsc12
InChIInChI=1S/C9H7BrO2S/c10-7-3-8(12)5-1-2-13-9(5)6(7)4-11/h1-3,11-12H,4H2
InChIKeyDUXCDFFBQAQRMU-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.86
Rot. Bonds1

About 6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol

6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol (PubChem CID 131145125) has the molecular formula C9H7BrO2S and a molecular weight of 259.12 g/mol. Its IUPAC name is 6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol
PubChem CID131145125
Molecular FormulaC9H7BrO2S
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol
SMILESOCc1c(Br)cc(O)c2ccsc12
InChIInChI=1S/C9H7BrO2S/c10-7-3-8(12)5-1-2-13-9(5)6(7)4-11/h1-3,11-12H,4H2
InChIKeyDUXCDFFBQAQRMU-UHFFFAOYSA-N
XLogP2.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 130884273
[4-bromo-6-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130901103
[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 130820878
5-bromo-4-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 131034398
(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
CID 131146100
(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
CID 130898537
(6-iodo-4-methyl-1-benzothiophen-7-yl)methanol
CID 131122786
(5-bromo-6-chloro-1-benzothiophen-7-yl)methanol
CID 130821217
5-(hydroxymethyl)-1-benzothiophene-4,6-diol
CID 130969866
6-bromo-7-(bromomethyl)-4-methylsulfanyl-1-benzothiophene
CID 130951781
4-(hydroxymethyl)-5-sulfanyl-1-benzothiophen-6-ol
CID 131057551
(6-amino-5-bromo-1-benzothiophen-4-yl)methanol
CID 130805448

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol?
The IUPAC name of 6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol (CID 131145125) is 6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol.
What is the SMILES notation for 6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol?
The canonical SMILES for 6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol is OCc1c(Br)cc(O)c2ccsc12.
What is the InChIKey of 6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol?
The InChIKey is DUXCDFFBQAQRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S/c10-7-3-8(12)5-1-2-13-9(5)6(7)4-11/h1-3,11-12H,4H2.
What are the key properties of 6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol?
6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol has a molecular weight of 259.12 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol is sourced from PubChem (CID 131145125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).