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

C13H16OS — CID 64516739

IUPAC5-(1-benzothiophen-3-yl)pentan-2-ol
SMILESCC(O)CCCc1csc2ccccc12
InChIInChI=1S/C13H16OS/c1-10(14)5-4-6-11-9-15-13-8-3-2-7-12(11)13/h2-3,7-10,14H,4-6H2,1H3
InChIKeyRFULDRZWGCWSFA-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.60
Rot. Bonds4

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

5-(1-benzothiophen-3-yl)pentan-2-ol (PubChem CID 64516739) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)pentan-2-ol
PubChem CID64516739
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name5-(1-benzothiophen-3-yl)pentan-2-ol
SMILESCC(O)CCCc1csc2ccccc12
InChIInChI=1S/C13H16OS/c1-10(14)5-4-6-11-9-15-13-8-3-2-7-12(11)13/h2-3,7-10,14H,4-6H2,1H3
InChIKeyRFULDRZWGCWSFA-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

1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
3-(4-bromoheptyl)-1-benzothiophene
CID 64507607
5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine
CID 64503792
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
CID 65308616
4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
CID 64505583
5-(1-benzothiophen-3-yl)-3-methylpentan-1-amine
CID 65300535
3-(4-chlorobutyl)-1-benzothiophene
CID 64513988
1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 63738446
1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol
CID 62698299
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)pentan-2-ol?
The IUPAC name of 5-(1-benzothiophen-3-yl)pentan-2-ol (CID 64516739) is 5-(1-benzothiophen-3-yl)pentan-2-ol.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)pentan-2-ol?
The canonical SMILES for 5-(1-benzothiophen-3-yl)pentan-2-ol is CC(O)CCCc1csc2ccccc12.
What is the InChIKey of 5-(1-benzothiophen-3-yl)pentan-2-ol?
The InChIKey is RFULDRZWGCWSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-10(14)5-4-6-11-9-15-13-8-3-2-7-12(11)13/h2-3,7-10,14H,4-6H2,1H3.
What are the key properties of 5-(1-benzothiophen-3-yl)pentan-2-ol?
5-(1-benzothiophen-3-yl)pentan-2-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 5-(1-benzothiophen-3-yl)pentan-2-ol is sourced from PubChem (CID 64516739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).