1-(1-benzothiophen-7-yl)pentan-3-ol

C13H16OS — CID 81147774

IUPAC1-(1-benzothiophen-7-yl)pentan-3-ol
SMILESCCC(O)CCc1cccc2ccsc12
InChIInChI=1S/C13H16OS/c1-2-12(14)7-6-10-4-3-5-11-8-9-15-13(10)11/h3-5,8-9,12,14H,2,6-7H2,1H3
InChIKeyQNALLXZVIWADIA-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.60
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)pentan-3-ol

1-(1-benzothiophen-7-yl)pentan-3-ol (PubChem CID 81147774) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)pentan-3-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)pentan-3-ol
PubChem CID81147774
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name1-(1-benzothiophen-7-yl)pentan-3-ol
SMILESCCC(O)CCc1cccc2ccsc12
InChIInChI=1S/C13H16OS/c1-2-12(14)7-6-10-4-3-5-11-8-9-15-13(10)11/h3-5,8-9,12,14H,2,6-7H2,1H3
InChIKeyQNALLXZVIWADIA-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3-chloropentyl)-1-benzothiophene
CID 81147007
1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine
CID 81148451
4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine
CID 81147000
1-naphthalen-1-ylpentan-3-ol
CID 2793924
1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine
CID 81147767
7-(3-chloropropyl)-1-benzothiophene
CID 81146584
4-[2-[2-(1-benzothiophen-7-yl)ethoxy]ethyl-methylamino]butan-2-ol
CID 71187935
7-(bromomethyl)-1-benzothiophene
CID 10751761
1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
CID 105119163
3-(1-benzothiophen-7-yl)-2-chloropropanamide
CID 130770729
ethane;7-methyl-1-benzothiophene
CID 143012583
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)pentan-3-ol?
The IUPAC name of 1-(1-benzothiophen-7-yl)pentan-3-ol (CID 81147774) is 1-(1-benzothiophen-7-yl)pentan-3-ol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)pentan-3-ol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)pentan-3-ol is CCC(O)CCc1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)pentan-3-ol?
The InChIKey is QNALLXZVIWADIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-2-12(14)7-6-10-4-3-5-11-8-9-15-13(10)11/h3-5,8-9,12,14H,2,6-7H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)pentan-3-ol?
1-(1-benzothiophen-7-yl)pentan-3-ol has a molecular weight of 220.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)pentan-3-ol is sourced from PubChem (CID 81147774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).