(7-bromo-1-benzothiophen-3-yl)methanol

C9H7BrOS — CID 81142228

IUPAC(7-bromo-1-benzothiophen-3-yl)methanol
SMILESOCc1csc2c(Br)cccc12
InChIInChI=1S/C9H7BrOS/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-3,5,11H,4H2
InChIKeyGQDHOSHRDLVDER-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.16
Rot. Bonds1

About (7-bromo-1-benzothiophen-3-yl)methanol

(7-bromo-1-benzothiophen-3-yl)methanol (PubChem CID 81142228) has the molecular formula C9H7BrOS and a molecular weight of 243.12 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)methanol
PubChem CID81142228
Molecular FormulaC9H7BrOS
Molecular Weight243.12 g/mol
Exact Mass241.94
IUPAC Name(7-bromo-1-benzothiophen-3-yl)methanol
SMILESOCc1csc2c(Br)cccc12
InChIInChI=1S/C9H7BrOS/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-3,5,11H,4H2
InChIKeyGQDHOSHRDLVDER-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-bromo-1-benzothiophen-3-yl)propanoic acid
CID 117197596
(7-bromo-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethylazanium
CID 6946287
5-(7-bromo-1-benzothiophen-3-yl)-N-tert-butylpentan-1-amine
CID 81148210
1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone
CID 81141825
7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol
CID 130969980
1-(7-bromo-1-benzothiophen-3-yl)-3-chloropropan-1-one
CID 104645888
(3-bromo-7-chloro-1-benzothiophen-6-yl)methanol
CID 130792540
1-(7-bromo-1-benzothiophen-3-yl)-2,2,2-trifluoroethanone
CID 81429856
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol
CID 131197619
1-(7-bromo-1-benzothiophen-3-yl)-2,2-dimethylbutan-1-ol
CID 81153135
1-(7-bromo-1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-one
CID 81142486

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)methanol (CID 81142228) is (7-bromo-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)methanol is OCc1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)methanol?
The InChIKey is GQDHOSHRDLVDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrOS/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-3,5,11H,4H2.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)methanol?
(7-bromo-1-benzothiophen-3-yl)methanol has a molecular weight of 243.12 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 81142228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).