(2,6-dibromo-1-benzothiophen-5-yl)methanol

C9H6Br2OS — CID 130785805

IUPAC(2,6-dibromo-1-benzothiophen-5-yl)methanol
SMILESOCc1cc2cc(Br)sc2cc1Br
InChIInChI=1S/C9H6Br2OS/c10-7-3-8-5(1-6(7)4-12)2-9(11)13-8/h1-3,12H,4H2
InChIKeyJLKCFCLVJRJDOZ-UHFFFAOYSA-N
MW322.02 g/mol
LogP3.92
Rot. Bonds1

About (2,6-dibromo-1-benzothiophen-5-yl)methanol

(2,6-dibromo-1-benzothiophen-5-yl)methanol (PubChem CID 130785805) has the molecular formula C9H6Br2OS and a molecular weight of 322.02 g/mol. Its IUPAC name is (2,6-dibromo-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(2,6-dibromo-1-benzothiophen-5-yl)methanol
PubChem CID130785805
Molecular FormulaC9H6Br2OS
Molecular Weight322.02 g/mol
Exact Mass319.85
IUPAC Name(2,6-dibromo-1-benzothiophen-5-yl)methanol
SMILESOCc1cc2cc(Br)sc2cc1Br
InChIInChI=1S/C9H6Br2OS/c10-7-3-8-5(1-6(7)4-12)2-9(11)13-8/h1-3,12H,4H2
InChIKeyJLKCFCLVJRJDOZ-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.02
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol
CID 130820875
2,6-dibromothieno[3,2-f][1]benzothiole
CID 91659146
2-bromo-5,6-difluoro-1-benzothiophene
CID 130866221
6,16-dibromo-5,11,17-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene
CID 118311416
2-bromo-6-(bromomethyl)-1-benzothiophene-5-thiol
CID 131059826
2-(2-bromo-6-sulfanyl-1-benzothiophen-5-yl)acetonitrile
CID 131218608
(2-bromo-4,5-dichlorophenyl)methanol
CID 68615356
4-bromo-2-fluoro-5-(hydroxymethyl)phenol
CID 66726435
5-(hydroxymethyl)-2-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131080789
6-bromo-5-(chloromethyl)-2-methylsulfanyl-1-benzothiophene
CID 130788795
6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol
CID 131197603
(2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol
CID 130805781

Frequently Asked Questions

What is the IUPAC name of (2,6-dibromo-1-benzothiophen-5-yl)methanol?
The IUPAC name of (2,6-dibromo-1-benzothiophen-5-yl)methanol (CID 130785805) is (2,6-dibromo-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (2,6-dibromo-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (2,6-dibromo-1-benzothiophen-5-yl)methanol is OCc1cc2cc(Br)sc2cc1Br.
What is the InChIKey of (2,6-dibromo-1-benzothiophen-5-yl)methanol?
The InChIKey is JLKCFCLVJRJDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2OS/c10-7-3-8-5(1-6(7)4-12)2-9(11)13-8/h1-3,12H,4H2.
What are the key properties of (2,6-dibromo-1-benzothiophen-5-yl)methanol?
(2,6-dibromo-1-benzothiophen-5-yl)methanol has a molecular weight of 322.02 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromo-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130785805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).