2-(3-chlorophenyl)-1-benzothiophene

C14H9ClS — CID 46228137

IUPAC2-(3-chlorophenyl)-1-benzothiophene
SMILESClc1cccc(-c2cc3ccccc3s2)c1
InChIInChI=1S/C14H9ClS/c15-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)16-14/h1-9H
InChIKeyNQJLKDBOXYUMRV-UHFFFAOYSA-N
MW244.75 g/mol
LogP5.22
Rot. Bonds1

About 2-(3-chlorophenyl)-1-benzothiophene

2-(3-chlorophenyl)-1-benzothiophene (PubChem CID 46228137) has the molecular formula C14H9ClS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-benzothiophene
PubChem CID46228137
Molecular FormulaC14H9ClS
Molecular Weight244.75 g/mol
Exact Mass244.01
IUPAC Name2-(3-chlorophenyl)-1-benzothiophene
SMILESClc1cccc(-c2cc3ccccc3s2)c1
InChIInChI=1S/C14H9ClS/c15-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)16-14/h1-9H
InChIKeyNQJLKDBOXYUMRV-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.75
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzothiophene
CID 3023
2,3-Dichlorothianaphthene
CID 79217
19404-18-3
CID 317317
3-Chloro-1-benzothiophene
CID 96234
Benzo(b)thiophene, chloro-
CID 46371
2,5-Bis(4-chlorophenyl)thiophene
CID 3588046
2-(5-Chloro-2-phenyl-1-benzothiophen-3-yl)ethanamine
CID 12412183
2-Phenylbenzo[b]thiophene
CID 610886
3-Iodo-2-phenylbenzo[b]thiophene
CID 11302118
Dibenzothiophene, 1,2,3,4-tetrahydro-
CID 85501
4-Chlorodibenzothiophene
CID 527136
3-(Bromomethyl)-5-chloro-1-benzothiophene
CID 2779857

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-benzothiophene?
The IUPAC name of 2-(3-chlorophenyl)-1-benzothiophene (CID 46228137) is 2-(3-chlorophenyl)-1-benzothiophene.
What is the SMILES notation for 2-(3-chlorophenyl)-1-benzothiophene?
The canonical SMILES for 2-(3-chlorophenyl)-1-benzothiophene is Clc1cccc(-c2cc3ccccc3s2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-benzothiophene?
The InChIKey is NQJLKDBOXYUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClS/c15-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)16-14/h1-9H.
What are the key properties of 2-(3-chlorophenyl)-1-benzothiophene?
2-(3-chlorophenyl)-1-benzothiophene has a molecular weight of 244.75 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-benzothiophene is sourced from PubChem (CID 46228137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).