[6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol

C10H8BrClOS — CID 130820875

IUPAC[6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol
SMILESOCc1cc2cc(CCl)sc2cc1Br
InChIInChI=1S/C10H8BrClOS/c11-9-3-10-6(1-7(9)5-13)2-8(4-12)14-10/h1-3,13H,4-5H2
InChIKeyONYPPFAZIZYTGH-UHFFFAOYSA-N
MW291.60 g/mol
LogP3.89
Rot. Bonds2

About [6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol

[6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol (PubChem CID 130820875) has the molecular formula C10H8BrClOS and a molecular weight of 291.60 g/mol. Its IUPAC name is [6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol.

Molecular Properties

Compound Name[6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol
PubChem CID130820875
Molecular FormulaC10H8BrClOS
Molecular Weight291.60 g/mol
Exact Mass289.92
IUPAC Name[6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol
SMILESOCc1cc2cc(CCl)sc2cc1Br
InChIInChI=1S/C10H8BrClOS/c11-9-3-10-6(1-7(9)5-13)2-8(4-12)14-10/h1-3,13H,4-5H2
InChIKeyONYPPFAZIZYTGH-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

[2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol
CID 131002183
(2,6-dibromo-1-benzothiophen-5-yl)methanol
CID 130785805
5-bromo-2-(chloromethyl)-6-iodo-1-benzothiophene
CID 131138271
2-(chloromethyl)-5,6-dimethyl-1-benzothiophene
CID 130866193
2-(chloromethyl)-6-ethyl-1-benzothiophen-5-ol
CID 130969973
6-bromo-5-(chloromethyl)-2-methylsulfanyl-1-benzothiophene
CID 130788795
[5-amino-2-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130826434
(2-bromo-4,5-dichlorophenyl)methanol
CID 68615356
(5-chloro-1-benzothiophen-2-yl)methanol
CID 23340421
2-(1-benzothiophen-2-yl)acetic acid;2-(1-benzothiophen-2-yl)acetonitrile;1-benzothiophen-2-ylmethanol;2-(chloromethyl)-1-benzothiophene
CID 157471793
(7-bromo-1-benzothiophen-2-yl)methanol
CID 53396438
(2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol
CID 130805781

Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol?
The IUPAC name of [6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol (CID 130820875) is [6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol.
What is the SMILES notation for [6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol?
The canonical SMILES for [6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol is OCc1cc2cc(CCl)sc2cc1Br.
What is the InChIKey of [6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol?
The InChIKey is ONYPPFAZIZYTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS/c11-9-3-10-6(1-7(9)5-13)2-8(4-12)14-10/h1-3,13H,4-5H2.
What are the key properties of [6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol?
[6-bromo-2-(chloromethyl)-1-benzothiophen-5-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-2-(chloromethyl)-1-benzothiophen-5-yl]methanol is sourced from PubChem (CID 130820875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).