7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol

C9H7BrO2S — CID 130969980

IUPAC7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol
SMILESOCc1c(O)sc2c(Br)cccc12
InChIInChI=1S/C9H7BrO2S/c10-7-3-1-2-5-6(4-11)9(12)13-8(5)7/h1-3,11-12H,4H2
InChIKeyPWYSXBAAZRYWOU-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.86
Rot. Bonds1

About 7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol

7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol (PubChem CID 130969980) has the molecular formula C9H7BrO2S and a molecular weight of 259.12 g/mol. Its IUPAC name is 7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol.

Molecular Properties

Compound Name7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol
PubChem CID130969980
Molecular FormulaC9H7BrO2S
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol
SMILESOCc1c(O)sc2c(Br)cccc12
InChIInChI=1S/C9H7BrO2S/c10-7-3-1-2-5-6(4-11)9(12)13-8(5)7/h1-3,11-12H,4H2
InChIKeyPWYSXBAAZRYWOU-UHFFFAOYSA-N
XLogP2.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 130805674
(7-bromo-1-benzothiophen-3-yl)methanol
CID 81142228
7-bromo-3-(bromomethyl)-1-benzothiophene-2-thiol
CID 131030774
7-hydroxy-3-(hydroxymethyl)-1-benzothiophene-2-carbonitrile
CID 131002187
2,7-dibromo-3-chloro-1-benzothiophene
CID 130883075
(7-bromo-1-benzothiophen-2-yl)methanol
CID 53396438
4-bromo-6-chlorodibenzothiophene
CID 54757064
7-bromo-3-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130839726
7-bromo-2-ethyl-1-benzothiophene-3-thiol
CID 130883111
7-bromo-2-(chloromethyl)-1-benzothiophen-3-amine
CID 130866068
(2-iodo-7-sulfanyl-1-benzothiophen-3-yl)methanol
CID 131150724
N-[[7-bromo-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114378246

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol?
The IUPAC name of 7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol (CID 130969980) is 7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol.
What is the SMILES notation for 7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol?
The canonical SMILES for 7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol is OCc1c(O)sc2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol?
The InChIKey is PWYSXBAAZRYWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S/c10-7-3-1-2-5-6(4-11)9(12)13-8(5)7/h1-3,11-12H,4H2.
What are the key properties of 7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol?
7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol has a molecular weight of 259.12 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol is sourced from PubChem (CID 130969980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).