3-(1-benzothiophen-2-yl)butan-2-ol

C12H14OS — CID 67935656

IUPAC3-(1-benzothiophen-2-yl)butan-2-ol
SMILESCC(O)C(C)c1cc2ccccc2s1
InChIInChI=1S/C12H14OS/c1-8(9(2)13)12-7-10-5-3-4-6-11(10)14-12/h3-9,13H,1-2H3
InChIKeyOWCMZXSDQXGQKA-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.39
Rot. Bonds2

About 3-(1-benzothiophen-2-yl)butan-2-ol

3-(1-benzothiophen-2-yl)butan-2-ol (PubChem CID 67935656) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)butan-2-ol
PubChem CID67935656
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name3-(1-benzothiophen-2-yl)butan-2-ol
SMILESCC(O)C(C)c1cc2ccccc2s1
InChIInChI=1S/C12H14OS/c1-8(9(2)13)12-7-10-5-3-4-6-11(10)14-12/h3-9,13H,1-2H3
InChIKeyOWCMZXSDQXGQKA-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
CID 114911206
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-(1-benzothiophen-2-yl)-2-bromoethanol
CID 130171136
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
2-(dimethoxymethyl)-1-benzothiophene
CID 119086272
(2R)-2-(1-benzothiophen-2-yl)propanoate
CID 7230612
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-benzothiophene
CID 63443757
1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
CID 115807031
1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
CID 63427924
1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
CID 113429047

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)butan-2-ol?
The IUPAC name of 3-(1-benzothiophen-2-yl)butan-2-ol (CID 67935656) is 3-(1-benzothiophen-2-yl)butan-2-ol.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)butan-2-ol?
The canonical SMILES for 3-(1-benzothiophen-2-yl)butan-2-ol is CC(O)C(C)c1cc2ccccc2s1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)butan-2-ol?
The InChIKey is OWCMZXSDQXGQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-8(9(2)13)12-7-10-5-3-4-6-11(10)14-12/h3-9,13H,1-2H3.
What are the key properties of 3-(1-benzothiophen-2-yl)butan-2-ol?
3-(1-benzothiophen-2-yl)butan-2-ol has a molecular weight of 206.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)butan-2-ol is sourced from PubChem (CID 67935656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).