[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol

C10H8BrClOS — CID 130820878

IUPAC[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol
SMILESOCc1cc(Br)c(CCl)c2sccc12
InChIInChI=1S/C10H8BrClOS/c11-9-3-6(5-13)7-1-2-14-10(7)8(9)4-12/h1-3,13H,4-5H2
InChIKeyHRYURARWZXXKOE-UHFFFAOYSA-N
MW291.60 g/mol
LogP3.89
Rot. Bonds2

About [6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol

[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol (PubChem CID 130820878) has the molecular formula C10H8BrClOS and a molecular weight of 291.60 g/mol. Its IUPAC name is [6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol.

Molecular Properties

Compound Name[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol
PubChem CID130820878
Molecular FormulaC10H8BrClOS
Molecular Weight291.60 g/mol
Exact Mass289.92
IUPAC Name[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol
SMILESOCc1cc(Br)c(CCl)c2sccc12
InChIInChI=1S/C10H8BrClOS/c11-9-3-6(5-13)7-1-2-14-10(7)8(9)4-12/h1-3,13H,4-5H2
InChIKeyHRYURARWZXXKOE-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
LogP ≤ 53.89
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-bromo-6-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130901103
(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
CID 131146100
[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
CID 131014412
6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol
CID 131145125
[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 131146400
(6-bromo-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 130884273
(7-ethyl-6-methyl-1-benzothiophen-4-yl)methanol
CID 131002417
6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol
CID 131053577
[6-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 130955973
[4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130985373
(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241
[4-amino-7-(chloromethyl)-1-benzothiophen-5-yl]methanol
CID 130803466

Frequently Asked Questions

What is the IUPAC name of [6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol?
The IUPAC name of [6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol (CID 130820878) is [6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol.
What is the SMILES notation for [6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol?
The canonical SMILES for [6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol is OCc1cc(Br)c(CCl)c2sccc12.
What is the InChIKey of [6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol?
The InChIKey is HRYURARWZXXKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS/c11-9-3-6(5-13)7-1-2-14-10(7)8(9)4-12/h1-3,13H,4-5H2.
What are the key properties of [6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol?
[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol has a molecular weight of 291.60 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol is sourced from PubChem (CID 130820878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).