(1R)-1-(1-benzothiophen-2-yl)propan-1-ol

C11H12OS — CID 171099380

IUPAC(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
SMILESCC[C@@H](O)c1cc2ccccc2s1
InChIInChI=1S/C11H12OS/c1-2-9(12)11-7-8-5-3-4-6-10(8)13-11/h3-7,9,12H,2H2,1H3/t9-/m1/s1
InChIKeyJKKWLLGHUUQTGB-SECBINFHSA-N
MW192.28 g/mol
LogP3.34
Rot. Bonds2

About (1R)-1-(1-benzothiophen-2-yl)propan-1-ol

(1R)-1-(1-benzothiophen-2-yl)propan-1-ol (PubChem CID 171099380) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is (1R)-1-(1-benzothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
PubChem CID171099380
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
SMILESCC[C@@H](O)c1cc2ccccc2s1
InChIInChI=1S/C11H12OS/c1-2-9(12)11-7-8-5-3-4-6-10(8)13-11/h3-7,9,12H,2H2,1H3/t9-/m1/s1
InChIKeyJKKWLLGHUUQTGB-SECBINFHSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
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CID 114980831
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
1-(1-benzothiophen-2-yl)-2-bromoethanol
CID 130171136
1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-ol
CID 86678604
ethyl (3S)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoate
CID 42631132
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
CID 113429047
1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819253
1-(1-benzothiophen-2-yl)hex-5-en-1-ol
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1-(1-benzothiophen-2-yl)-2-cyclobutylethanol
CID 115802429

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzothiophen-2-yl)propan-1-ol?
The IUPAC name of (1R)-1-(1-benzothiophen-2-yl)propan-1-ol (CID 171099380) is (1R)-1-(1-benzothiophen-2-yl)propan-1-ol.
What is the SMILES notation for (1R)-1-(1-benzothiophen-2-yl)propan-1-ol?
The canonical SMILES for (1R)-1-(1-benzothiophen-2-yl)propan-1-ol is CC[C@@H](O)c1cc2ccccc2s1.
What is the InChIKey of (1R)-1-(1-benzothiophen-2-yl)propan-1-ol?
The InChIKey is JKKWLLGHUUQTGB-SECBINFHSA-N. The full InChI is InChI=1S/C11H12OS/c1-2-9(12)11-7-8-5-3-4-6-10(8)13-11/h3-7,9,12H,2H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(1-benzothiophen-2-yl)propan-1-ol?
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol has a molecular weight of 192.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-benzothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 171099380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).