2-(2,3-dimethylbutan-2-yl)-1-benzothiophene

C14H18S — CID 23150201

IUPAC2-(2,3-dimethylbutan-2-yl)-1-benzothiophene
SMILESCC(C)C(C)(C)c1cc2ccccc2s1
InChIInChI=1S/C14H18S/c1-10(2)14(3,4)13-9-11-7-5-6-8-12(11)15-13/h5-10H,1-4H3
InChIKeyIJKYBELXYKBKOO-UHFFFAOYSA-N
MW218.37 g/mol
LogP4.83
Rot. Bonds2

About 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene

2-(2,3-dimethylbutan-2-yl)-1-benzothiophene (PubChem CID 23150201) has the molecular formula C14H18S and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)-1-benzothiophene
PubChem CID23150201
Molecular FormulaC14H18S
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name2-(2,3-dimethylbutan-2-yl)-1-benzothiophene
SMILESCC(C)C(C)(C)c1cc2ccccc2s1
InChIInChI=1S/C14H18S/c1-10(2)14(3,4)13-9-11-7-5-6-8-12(11)15-13/h5-10H,1-4H3
InChIKeyIJKYBELXYKBKOO-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol
CID 114910768
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
2-(1-benzothiophen-2-yl)-3-ethylpentan-2-ol
CID 114910806
2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
CID 901528
2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol
CID 114910872
2-tert-butylbenzo[f][1]benzothiole
CID 121274220
1-(1-benzothiophen-2-yl)-1-(2-methylphenyl)ethanol
CID 114910776
2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol
CID 114910856
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
bis(1-benzothiophen-2-yl)-[4-[bis(1-benzothiophen-2-yl)-hydroxymethyl]phenyl]methanol
CID 122216387

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene (CID 23150201) is 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene is CC(C)C(C)(C)c1cc2ccccc2s1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene?
The InChIKey is IJKYBELXYKBKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S/c1-10(2)14(3,4)13-9-11-7-5-6-8-12(11)15-13/h5-10H,1-4H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene?
2-(2,3-dimethylbutan-2-yl)-1-benzothiophene has a molecular weight of 218.37 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)-1-benzothiophene is sourced from PubChem (CID 23150201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).