7-(3-chloropentyl)-1-benzothiophene

C13H15ClS — CID 81147007

IUPAC7-(3-chloropentyl)-1-benzothiophene
SMILESCCC(Cl)CCc1cccc2ccsc12
InChIInChI=1S/C13H15ClS/c1-2-12(14)7-6-10-4-3-5-11-8-9-15-13(10)11/h3-5,8-9,12H,2,6-7H2,1H3
InChIKeyNOCQPVKSNRBZNY-UHFFFAOYSA-N
MW238.78 g/mol
LogP4.85
Rot. Bonds4

About 7-(3-chloropentyl)-1-benzothiophene

7-(3-chloropentyl)-1-benzothiophene (PubChem CID 81147007) has the molecular formula C13H15ClS and a molecular weight of 238.78 g/mol. Its IUPAC name is 7-(3-chloropentyl)-1-benzothiophene.

Molecular Properties

Compound Name7-(3-chloropentyl)-1-benzothiophene
PubChem CID81147007
Molecular FormulaC13H15ClS
Molecular Weight238.78 g/mol
Exact Mass238.06
IUPAC Name7-(3-chloropentyl)-1-benzothiophene
SMILESCCC(Cl)CCc1cccc2ccsc12
InChIInChI=1S/C13H15ClS/c1-2-12(14)7-6-10-4-3-5-11-8-9-15-13(10)11/h3-5,8-9,12H,2,6-7H2,1H3
InChIKeyNOCQPVKSNRBZNY-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzothiophen-7-yl)pentan-3-ol
CID 81147774
1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine
CID 81148451
4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine
CID 81147000
1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine
CID 81147767
1-(3-chloropentyl)naphthalene
CID 63460195
7-(3-chloropropyl)-1-benzothiophene
CID 81146584
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958
7-(bromomethyl)-1-benzothiophene
CID 10751761
3-(1-benzothiophen-7-yl)-2-chloropropanamide
CID 130770729
1-(3-chlorohexyl)naphthalene
CID 63461105
ethane;7-methyl-1-benzothiophene
CID 143012583
4-[2-[2-(1-benzothiophen-7-yl)ethoxy]ethyl-methylamino]butan-2-ol
CID 71187935

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloropentyl)-1-benzothiophene?
The IUPAC name of 7-(3-chloropentyl)-1-benzothiophene (CID 81147007) is 7-(3-chloropentyl)-1-benzothiophene.
What is the SMILES notation for 7-(3-chloropentyl)-1-benzothiophene?
The canonical SMILES for 7-(3-chloropentyl)-1-benzothiophene is CCC(Cl)CCc1cccc2ccsc12.
What is the InChIKey of 7-(3-chloropentyl)-1-benzothiophene?
The InChIKey is NOCQPVKSNRBZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClS/c1-2-12(14)7-6-10-4-3-5-11-8-9-15-13(10)11/h3-5,8-9,12H,2,6-7H2,1H3.
What are the key properties of 7-(3-chloropentyl)-1-benzothiophene?
7-(3-chloropentyl)-1-benzothiophene has a molecular weight of 238.78 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloropentyl)-1-benzothiophene is sourced from PubChem (CID 81147007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).