(5,7-dibromo-1-benzothiophen-2-yl)methanol

C9H6Br2OS — CID 130982936

IUPAC(5,7-dibromo-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2cc(Br)cc(Br)c2s1
InChIInChI=1S/C9H6Br2OS/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1-3,12H,4H2
InChIKeyPIKKTUNPGXMLBW-UHFFFAOYSA-N
MW322.02 g/mol
LogP3.92
Rot. Bonds1

About (5,7-dibromo-1-benzothiophen-2-yl)methanol

(5,7-dibromo-1-benzothiophen-2-yl)methanol (PubChem CID 130982936) has the molecular formula C9H6Br2OS and a molecular weight of 322.02 g/mol. Its IUPAC name is (5,7-dibromo-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5,7-dibromo-1-benzothiophen-2-yl)methanol
PubChem CID130982936
Molecular FormulaC9H6Br2OS
Molecular Weight322.02 g/mol
Exact Mass319.85
IUPAC Name(5,7-dibromo-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2cc(Br)cc(Br)c2s1
InChIInChI=1S/C9H6Br2OS/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1-3,12H,4H2
InChIKeyPIKKTUNPGXMLBW-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

Analyze (5,7-dibromo-1-benzothiophen-2-yl)methanol 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-1-benzothiophen-2-yl)methanol
CID 53396438
5,7-dibromo-1-benzothiophen-2-ol
CID 131059860
(7-amino-6-bromo-1-benzothiophen-2-yl)methanol
CID 130805571
2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol
CID 130805249
(7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131080883
(5-amino-7-iodo-1-benzothiophen-2-yl)methanol
CID 131014314
(7-bromo-2-iodo-1-benzothiophen-5-yl)methanol
CID 130839973
5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene
CID 131214219
7-bromo-2-(chloromethyl)-1-benzothiophene-5-carbonitrile
CID 130816528
7-bromo-5-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 130805675
[6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol
CID 130820875
[15-(hydroxymethyl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methanol
CID 69098040

Frequently Asked Questions

What is the IUPAC name of (5,7-dibromo-1-benzothiophen-2-yl)methanol?
The IUPAC name of (5,7-dibromo-1-benzothiophen-2-yl)methanol (CID 130982936) is (5,7-dibromo-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (5,7-dibromo-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (5,7-dibromo-1-benzothiophen-2-yl)methanol is OCc1cc2cc(Br)cc(Br)c2s1.
What is the InChIKey of (5,7-dibromo-1-benzothiophen-2-yl)methanol?
The InChIKey is PIKKTUNPGXMLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2OS/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1-3,12H,4H2.
What are the key properties of (5,7-dibromo-1-benzothiophen-2-yl)methanol?
(5,7-dibromo-1-benzothiophen-2-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 (5,7-dibromo-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 130982936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).