[7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol

C11H11BrOS — CID 130803856

IUPAC[7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol
SMILESCc1cc2c(CO)ccc(CBr)c2s1
InChIInChI=1S/C11H11BrOS/c1-7-4-10-9(6-13)3-2-8(5-12)11(10)14-7/h2-4,13H,5-6H2,1H3
InChIKeyMTYMZSTUGPAZCC-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.60
Rot. Bonds2

About [7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol

[7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol (PubChem CID 130803856) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is [7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol.

Molecular Properties

Compound Name[7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol
PubChem CID130803856
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name[7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol
SMILESCc1cc2c(CO)ccc(CBr)c2s1
InChIInChI=1S/C11H11BrOS/c1-7-4-10-9(6-13)3-2-8(5-12)11(10)14-7/h2-4,13H,5-6H2,1H3
InChIKeyMTYMZSTUGPAZCC-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'}

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Related Compounds

[4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol
CID 131145347
(2-methyl-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 131057346
4-(bromomethyl)-2-methyl-7-methylsulfanyl-1-benzothiophene
CID 131096710
7-(hydroxymethyl)-2-methyl-1-benzothiophene-4-carbonitrile
CID 130884878
(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol
CID 130898913
(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol
CID 131097075
5-(bromomethyl)-4-iodo-2-methyl-1-benzothiophene
CID 131053521
2-bromo-4-(hydroxymethyl)-1-benzothiophen-7-ol
CID 130870525
4-(bromomethyl)-7-methyl-1-benzothiophene-2-thiol
CID 131075798
4-(bromomethyl)-7-ethyl-2-iodo-1-benzothiophene
CID 130956704
7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene
CID 130788277
7-(bromomethyl)-4-iodo-2-methoxy-1-benzothiophene
CID 130839733

Frequently Asked Questions

What is the IUPAC name of [7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol?
The IUPAC name of [7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol (CID 130803856) is [7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol.
What is the SMILES notation for [7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol?
The canonical SMILES for [7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol is Cc1cc2c(CO)ccc(CBr)c2s1.
What is the InChIKey of [7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol?
The InChIKey is MTYMZSTUGPAZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-7-4-10-9(6-13)3-2-8(5-12)11(10)14-7/h2-4,13H,5-6H2,1H3.
What are the key properties of [7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol?
[7-(bromomethyl)-2-methyl-1-benzothiophen-4-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 [7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol is sourced from PubChem (CID 130803856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).