(4-bromo-3-chloro-1-benzothiophen-2-yl)methanol

C9H6BrClOS — CID 130821214

IUPAC(4-bromo-3-chloro-1-benzothiophen-2-yl)methanol
SMILESOCc1sc2cccc(Br)c2c1Cl
InChIInChI=1S/C9H6BrClOS/c10-5-2-1-3-6-8(5)9(11)7(4-12)13-6/h1-3,12H,4H2
InChIKeySFFHHQNZKZMALD-UHFFFAOYSA-N
MW277.57 g/mol
LogP3.81
Rot. Bonds1

About (4-bromo-3-chloro-1-benzothiophen-2-yl)methanol

(4-bromo-3-chloro-1-benzothiophen-2-yl)methanol (PubChem CID 130821214) has the molecular formula C9H6BrClOS and a molecular weight of 277.57 g/mol. Its IUPAC name is (4-bromo-3-chloro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-1-benzothiophen-2-yl)methanol
PubChem CID130821214
Molecular FormulaC9H6BrClOS
Molecular Weight277.57 g/mol
Exact Mass275.90
IUPAC Name(4-bromo-3-chloro-1-benzothiophen-2-yl)methanol
SMILESOCc1sc2cccc(Br)c2c1Cl
InChIInChI=1S/C9H6BrClOS/c10-5-2-1-3-6-8(5)9(11)7(4-12)13-6/h1-3,12H,4H2
InChIKeySFFHHQNZKZMALD-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-2-(chloromethyl)-1-benzothiophene
CID 130820859
(3-amino-4-chloro-1-benzothiophen-2-yl)methanol
CID 131030958
[2-bromo-4-(chloromethyl)-1-benzothiophen-3-yl]methanol
CID 131033753
(4-bromo-1-benzothiophen-2-yl)methanol
CID 13466536
3,4-dibromo-2-methyl-1-benzothiophene
CID 131074757
(4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131196586
(2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol
CID 131217352
3-bromo-2-ethyl-1-benzothiophen-4-ol
CID 22737147
2-bromo-3-(hydroxymethyl)-1-benzothiophene-4-carbonitrile
CID 131014306
methyl 4-bromo-3-(bromomethyl)-1-benzothiophene-2-carboxylate
CID 131377230
[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol
CID 63813275
7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol
CID 130969980

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-bromo-3-chloro-1-benzothiophen-2-yl)methanol (CID 130821214) is (4-bromo-3-chloro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-3-chloro-1-benzothiophen-2-yl)methanol is OCc1sc2cccc(Br)c2c1Cl.
What is the InChIKey of (4-bromo-3-chloro-1-benzothiophen-2-yl)methanol?
The InChIKey is SFFHHQNZKZMALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClOS/c10-5-2-1-3-6-8(5)9(11)7(4-12)13-6/h1-3,12H,4H2.
What are the key properties of (4-bromo-3-chloro-1-benzothiophen-2-yl)methanol?
(4-bromo-3-chloro-1-benzothiophen-2-yl)methanol has a molecular weight of 277.57 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 130821214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).