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

C11H12OS — CID 63738111

IUPAC1-(1-benzothiophen-3-yl)propan-2-ol
SMILESCC(O)Cc1csc2ccccc12
InChIInChI=1S/C11H12OS/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,12H,6H2,1H3
InChIKeyOPAGHXBYDHQRAZ-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.82
Rot. Bonds2

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

1-(1-benzothiophen-3-yl)propan-2-ol (PubChem CID 63738111) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)propan-2-ol
PubChem CID63738111
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name1-(1-benzothiophen-3-yl)propan-2-ol
SMILESCC(O)Cc1csc2ccccc12
InChIInChI=1S/C11H12OS/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,12H,6H2,1H3
InChIKeyOPAGHXBYDHQRAZ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-yl)propan-2-ol 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

(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
5-(1-benzothiophen-3-yl)pentan-2-ol
CID 64516739
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036
3-[2-(1-bromoethyl)-3-methylbutyl]-1-benzothiophene
CID 55231292
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146
1-(1-benzothiophen-3-yl)-4-(dimethylamino)butan-2-ol
CID 113291149
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-2-yl)ethanol
CID 65150670
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)propan-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)propan-2-ol (CID 63738111) is 1-(1-benzothiophen-3-yl)propan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)propan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)propan-2-ol is CC(O)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)propan-2-ol?
The InChIKey is OPAGHXBYDHQRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,12H,6H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)propan-2-ol?
1-(1-benzothiophen-3-yl)propan-2-ol has a molecular weight of 192.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)propan-2-ol is sourced from PubChem (CID 63738111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).