1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol

C13H18OS — CID 71163659

IUPAC1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol
SMILESCCCC(O)CC1C=c2ccsc2=CC1
InChIInChI=1S/C13H18OS/c1-2-3-12(14)9-10-4-5-13-11(8-10)6-7-15-13/h5-8,10,12,14H,2-4,9H2,1H3
InChIKeyNLGRIRPXOXEUOT-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.88
Rot. Bonds4

About 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol

1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol (PubChem CID 71163659) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol
PubChem CID71163659
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol
SMILESCCCC(O)CC1C=c2ccsc2=CC1
InChIInChI=1S/C13H18OS/c1-2-3-12(14)9-10-4-5-13-11(8-10)6-7-15-13/h5-8,10,12,14H,2-4,9H2,1H3
InChIKeyNLGRIRPXOXEUOT-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-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

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol?
The IUPAC name of 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol (CID 71163659) is 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol.
What is the SMILES notation for 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol?
The canonical SMILES for 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol is CCCC(O)CC1C=c2ccsc2=CC1.
What is the InChIKey of 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol?
The InChIKey is NLGRIRPXOXEUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-2-3-12(14)9-10-4-5-13-11(8-10)6-7-15-13/h5-8,10,12,14H,2-4,9H2,1H3.
What are the key properties of 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol?
1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol has a molecular weight of 222.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol is sourced from PubChem (CID 71163659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).