(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol

C11H11BrOS — CID 130898537

IUPAC(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
SMILESCCc1c(CO)c(Br)cc2ccsc12
InChIInChI=1S/C11H11BrOS/c1-2-8-9(6-13)10(12)5-7-3-4-14-11(7)8/h3-5,13H,2,6H2,1H3
InChIKeyZXVFDTSGASMYPJ-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.72
Rot. Bonds2

About (5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol

(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol (PubChem CID 130898537) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is (5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
PubChem CID130898537
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
SMILESCCc1c(CO)c(Br)cc2ccsc12
InChIInChI=1S/C11H11BrOS/c1-2-8-9(6-13)10(12)5-7-3-4-14-11(7)8/h3-5,13H,2,6H2,1H3
InChIKeyZXVFDTSGASMYPJ-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-6-chloro-1-benzothiophen-7-yl)methanol
CID 130821217
(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
CID 131146100
6-bromo-5-chloro-7-ethyl-1-benzothiophene
CID 130821097
6-ethyl-1-benzothiophene-5,7-diol
CID 131098438
7-bromo-5-chloro-6-ethyl-1-benzothiophene
CID 130821099
6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol
CID 131145125
5-bromo-7-(bromomethyl)-6-methylsulfanyl-1-benzothiophene
CID 130788892
(5-bromo-1-benzothiophen-7-yl)methanol
CID 169261568
(6-bromo-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 130884273
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773
7-bromo-5-ethyl-1-benzothiophen-6-ol
CID 130955960
5,7-dichloro-6-ethyl-1-benzothiophene
CID 130969196

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol?
The IUPAC name of (5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol (CID 130898537) is (5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol is CCc1c(CO)c(Br)cc2ccsc12.
What is the InChIKey of (5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol?
The InChIKey is ZXVFDTSGASMYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-2-8-9(6-13)10(12)5-7-3-4-14-11(7)8/h3-5,13H,2,6H2,1H3.
What are the key properties of (5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol?
(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol has a molecular weight of 271.18 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130898537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).