3-chloro-2-phenyl-1-benzothiophene

C14H9ClS — CID 22619322

IUPAC3-chloro-2-phenyl-1-benzothiophene
SMILESClc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C14H9ClS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChIKeyCMJCKTXYMMDNCW-UHFFFAOYSA-N
MW244.75 g/mol
LogP5.22
Rot. Bonds1

About 3-chloro-2-phenyl-1-benzothiophene

3-chloro-2-phenyl-1-benzothiophene (PubChem CID 22619322) has the molecular formula C14H9ClS and a molecular weight of 244.75 g/mol. Its IUPAC name is 3-chloro-2-phenyl-1-benzothiophene.

Molecular Properties

Compound Name3-chloro-2-phenyl-1-benzothiophene
PubChem CID22619322
Molecular FormulaC14H9ClS
Molecular Weight244.75 g/mol
Exact Mass244.01
IUPAC Name3-chloro-2-phenyl-1-benzothiophene
SMILESClc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C14H9ClS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChIKeyCMJCKTXYMMDNCW-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

Analyze 3-chloro-2-phenyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenyl-1-benzothiophene?
The IUPAC name of 3-chloro-2-phenyl-1-benzothiophene (CID 22619322) is 3-chloro-2-phenyl-1-benzothiophene.
What is the SMILES notation for 3-chloro-2-phenyl-1-benzothiophene?
The canonical SMILES for 3-chloro-2-phenyl-1-benzothiophene is Clc1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of 3-chloro-2-phenyl-1-benzothiophene?
The InChIKey is CMJCKTXYMMDNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 3-chloro-2-phenyl-1-benzothiophene?
3-chloro-2-phenyl-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 3-chloro-2-phenyl-1-benzothiophene is sourced from PubChem (CID 22619322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).