(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol

C11H11BrOS — CID 131146100

IUPAC(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
SMILESCCc1c(Br)cc(CO)c2sccc12
InChIInChI=1S/C11H11BrOS/c1-2-8-9-3-4-14-11(9)7(6-13)5-10(8)12/h3-5,13H,2,6H2,1H3
InChIKeyKGBSHLLNIICXBE-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.72
Rot. Bonds2

About (5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol

(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol (PubChem CID 131146100) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is (5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
PubChem CID131146100
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
SMILESCCc1c(Br)cc(CO)c2sccc12
InChIInChI=1S/C11H11BrOS/c1-2-8-9-3-4-14-11(9)7(6-13)5-10(8)12/h3-5,13H,2,6H2,1H3
InChIKeyKGBSHLLNIICXBE-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

[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 130820878
(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
CID 130898537
(7-ethyl-6-methyl-1-benzothiophen-4-yl)methanol
CID 131002417
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
CID 131196602
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958
6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol
CID 131145125
(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
CID 130971765
[4-bromo-6-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130901103
(6-bromo-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 130884273
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
5-bromo-4-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 131034398
7-(hydroxymethyl)-4-sulfanyl-1-benzothiophen-5-ol
CID 131196046

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol?
The IUPAC name of (5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol (CID 131146100) is (5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol is CCc1c(Br)cc(CO)c2sccc12.
What is the InChIKey of (5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol?
The InChIKey is KGBSHLLNIICXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-2-8-9-3-4-14-11(9)7(6-13)5-10(8)12/h3-5,13H,2,6H2,1H3.
What are the key properties of (5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol?
(5-bromo-4-ethyl-1-benzothiophen-7-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-4-ethyl-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 131146100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).