5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol

C13H18OS — CID 79225995

IUPAC5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol
SMILESCC(O)CCCC1CSc2ccccc21
InChIInChI=1S/C13H18OS/c1-10(14)5-4-6-11-9-15-13-8-3-2-7-12(11)13/h2-3,7-8,10-11,14H,4-6,9H2,1H3
InChIKeyIEYVMKYCCBXBTN-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.43
Rot. Bonds4

About 5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol

5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol (PubChem CID 79225995) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol
PubChem CID79225995
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol
SMILESCC(O)CCCC1CSc2ccccc21
InChIInChI=1S/C13H18OS/c1-10(14)5-4-6-11-9-15-13-8-3-2-7-12(11)13/h2-3,7-8,10-11,14H,4-6,9H2,1H3
InChIKeyIEYVMKYCCBXBTN-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorobutyl)-2,3-dihydro-1-benzothiophene
CID 79221601
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-6-methylheptan-2-amine
CID 79220614
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-methylhexan-1-amine
CID 113287462
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol
CID 104771921
3-(2,3-dihydro-1-benzothiophen-3-yl)-2-methyl-1-phenylpropan-1-one
CID 104844996
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
CID 82960217
3-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)butan-1-amine
CID 79226615
3-[2-(bromomethyl)-3-methylbutyl]-2,3-dihydro-1-benzothiophene
CID 79226883

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol?
The IUPAC name of 5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol (CID 79225995) is 5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol.
What is the SMILES notation for 5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol?
The canonical SMILES for 5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol is CC(O)CCCC1CSc2ccccc21.
What is the InChIKey of 5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol?
The InChIKey is IEYVMKYCCBXBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-10(14)5-4-6-11-9-15-13-8-3-2-7-12(11)13/h2-3,7-8,10-11,14H,4-6,9H2,1H3.
What are the key properties of 5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol?
5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol has a molecular weight of 222.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol is sourced from PubChem (CID 79225995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).