6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol

C11H11BrOS — CID 130941761

IUPAC6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol
SMILESCCc1cc2c(O)cc(CBr)cc2s1
InChIInChI=1S/C11H11BrOS/c1-2-8-5-9-10(13)3-7(6-12)4-11(9)14-8/h3-5,13H,2,6H2,1H3
InChIKeyCEGDKZCXPAYAFH-UHFFFAOYSA-N
MW271.18 g/mol
LogP4.06
Rot. Bonds2

About 6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol

6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol (PubChem CID 130941761) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is 6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol
PubChem CID130941761
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol
SMILESCCc1cc2c(O)cc(CBr)cc2s1
InChIInChI=1S/C11H11BrOS/c1-2-8-5-9-10(13)3-7(6-12)4-11(9)14-8/h3-5,13H,2,6H2,1H3
InChIKeyCEGDKZCXPAYAFH-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-diethyl-1-benzothiophene
CID 131029500
2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol
CID 130971703
4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
CID 130792061
2-ethyl-6-hydroxy-1-benzothiophene-4-carbaldehyde
CID 131150677
4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
CID 130788319
7,16-diethyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651605
6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol
CID 131000518
5-(bromomethyl)-2-ethylphenol
CID 171653921
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
CID 130951766
2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
CID 130913641
7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
CID 144783026
5-bromo-4-chloro-2-ethyl-1-benzothiophene
CID 131030854

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol?
The IUPAC name of 6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol (CID 130941761) is 6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol.
What is the SMILES notation for 6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol?
The canonical SMILES for 6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol is CCc1cc2c(O)cc(CBr)cc2s1.
What is the InChIKey of 6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol?
The InChIKey is CEGDKZCXPAYAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-2-8-5-9-10(13)3-7(6-12)4-11(9)14-8/h3-5,13H,2,6H2,1H3.
What are the key properties of 6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol?
6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol has a molecular weight of 271.18 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol is sourced from PubChem (CID 130941761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).