6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol

C10H9BrO2S — CID 131053577

IUPAC6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol
SMILESOCc1cc(CBr)c(O)c2sccc12
InChIInChI=1S/C10H9BrO2S/c11-4-6-3-7(5-12)8-1-2-14-10(8)9(6)13/h1-3,12-13H,4-5H2
InChIKeyPBJINMPKLFEWMR-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.99
Rot. Bonds2

About 6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol

6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol (PubChem CID 131053577) has the molecular formula C10H9BrO2S and a molecular weight of 273.15 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol.

Molecular Properties

Compound Name6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol
PubChem CID131053577
Molecular FormulaC10H9BrO2S
Molecular Weight273.15 g/mol
Exact Mass271.95
IUPAC Name6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol
SMILESOCc1cc(CBr)c(O)c2sccc12
InChIInChI=1S/C10H9BrO2S/c11-4-6-3-7(5-12)8-1-2-14-10(8)9(6)13/h1-3,12-13H,4-5H2
InChIKeyPBJINMPKLFEWMR-UHFFFAOYSA-N
XLogP2.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-6-sulfanyl-1-benzothiophen-7-ol
CID 130792426
4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol
CID 130839795
(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241
[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
CID 131014412
[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 130820878
(7-ethyl-6-methyl-1-benzothiophen-4-yl)methanol
CID 131002417
4-(bromomethyl)-6,7-diiodo-1-benzothiophene
CID 131169476
(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130987910
5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
CID 130956494
7-(hydroxymethyl)-4-sulfanyl-1-benzothiophen-5-ol
CID 131196046
4-ethyl-6-methyl-1-benzothiophen-7-ol
CID 131219308
6-chloro-4-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130792151

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol?
The IUPAC name of 6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol (CID 131053577) is 6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol.
What is the SMILES notation for 6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol?
The canonical SMILES for 6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol is OCc1cc(CBr)c(O)c2sccc12.
What is the InChIKey of 6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol?
The InChIKey is PBJINMPKLFEWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2S/c11-4-6-3-7(5-12)8-1-2-14-10(8)9(6)13/h1-3,12-13H,4-5H2.
What are the key properties of 6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol?
6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol has a molecular weight of 273.15 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol is sourced from PubChem (CID 131053577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).