2-(3-methylbutan-2-yl)-1-benzothiophene

C13H16S — CID 147738757

IUPAC2-(3-methylbutan-2-yl)-1-benzothiophene
SMILESCC(C)C(C)c1cc2ccccc2s1
InChIInChI=1S/C13H16S/c1-9(2)10(3)13-8-11-6-4-5-7-12(11)14-13/h4-10H,1-3H3
InChIKeyGZXDDSKAHFQNAY-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.66
Rot. Bonds2

About 2-(3-methylbutan-2-yl)-1-benzothiophene

2-(3-methylbutan-2-yl)-1-benzothiophene (PubChem CID 147738757) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)-1-benzothiophene
PubChem CID147738757
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name2-(3-methylbutan-2-yl)-1-benzothiophene
SMILESCC(C)C(C)c1cc2ccccc2s1
InChIInChI=1S/C13H16S/c1-9(2)10(3)13-8-11-6-4-5-7-12(11)14-13/h4-10H,1-3H3
InChIKeyGZXDDSKAHFQNAY-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
CID 114911206
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-(dimethoxymethyl)-1-benzothiophene
CID 119086272
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
CID 115854470
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
(2R)-2-(1-benzothiophen-2-yl)propanoate
CID 7230612
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-benzothiophene
CID 63443757
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yl)-1-benzothiophene?
The IUPAC name of 2-(3-methylbutan-2-yl)-1-benzothiophene (CID 147738757) is 2-(3-methylbutan-2-yl)-1-benzothiophene.
What is the SMILES notation for 2-(3-methylbutan-2-yl)-1-benzothiophene?
The canonical SMILES for 2-(3-methylbutan-2-yl)-1-benzothiophene is CC(C)C(C)c1cc2ccccc2s1.
What is the InChIKey of 2-(3-methylbutan-2-yl)-1-benzothiophene?
The InChIKey is GZXDDSKAHFQNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S/c1-9(2)10(3)13-8-11-6-4-5-7-12(11)14-13/h4-10H,1-3H3.
What are the key properties of 2-(3-methylbutan-2-yl)-1-benzothiophene?
2-(3-methylbutan-2-yl)-1-benzothiophene has a molecular weight of 204.34 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)-1-benzothiophene is sourced from PubChem (CID 147738757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).