[6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol

C11H11BrOS — CID 131091512

IUPAC[6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol
SMILESCc1sc2cc(CBr)ccc2c1CO
InChIInChI=1S/C11H11BrOS/c1-7-10(6-13)9-3-2-8(5-12)4-11(9)14-7/h2-4,13H,5-6H2,1H3
InChIKeyFRGIXDDQWANZST-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.60
Rot. Bonds2

About [6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol

[6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol (PubChem CID 131091512) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is [6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol.

Molecular Properties

Compound Name[6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol
PubChem CID131091512
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name[6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol
SMILESCc1sc2cc(CBr)ccc2c1CO
InChIInChI=1S/C11H11BrOS/c1-7-10(6-13)9-3-2-8(5-12)4-11(9)14-7/h2-4,13H,5-6H2,1H3
InChIKeyFRGIXDDQWANZST-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [6-(bromomethyl)-2-methyl-1-benzothiophen-3-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

[2-bromo-3-(bromomethyl)-1-benzothiophen-6-yl]methanol
CID 130820854
3-(bromomethyl)-6-methyl-1-benzothiophen-2-ol
CID 130803678
6-(bromomethyl)-3-fluoro-2-methylsulfanyl-1-benzothiophene
CID 130870517
6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine
CID 130971658
6-(bromomethyl)-3-chloro-2-methylsulfanyl-1-benzothiophene
CID 130884787
2-(2,3-dimethyl-1-benzothiophen-6-yl)acetic acid
CID 600423
6-(bromomethyl)-3-fluoro-1-benzothiophene-2-carbaldehyde
CID 130898250
6-(chloromethyl)-3-methyl-1-benzothiophen-2-ol
CID 130971138
2-(2-methyl-6-sulfanyl-1-benzothiophen-3-yl)acetonitrile
CID 130942145
(2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol
CID 130942154
1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine
CID 117313447
2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine
CID 131218254

Frequently Asked Questions

What is the IUPAC name of [6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol?
The IUPAC name of [6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol (CID 131091512) is [6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol.
What is the SMILES notation for [6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol?
The canonical SMILES for [6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol is Cc1sc2cc(CBr)ccc2c1CO.
What is the InChIKey of [6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol?
The InChIKey is FRGIXDDQWANZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-7-10(6-13)9-3-2-8(5-12)4-11(9)14-7/h2-4,13H,5-6H2,1H3.
What are the key properties of [6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol?
[6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol has a molecular weight of 271.18 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol is sourced from PubChem (CID 131091512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).