5-chloro-1-phenyl-3,4-dihydroisoquinoline

C15H12ClN — CID 14998911

IUPAC5-chloro-1-phenyl-3,4-dihydroisoquinoline
SMILESClc1cccc2c1CCN=C2c1ccccc1
InChIInChI=1S/C15H12ClN/c16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyUXQZARDQRAEILG-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.73
Rot. Bonds1

About 5-chloro-1-phenyl-3,4-dihydroisoquinoline

5-chloro-1-phenyl-3,4-dihydroisoquinoline (PubChem CID 14998911) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-1-phenyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name5-chloro-1-phenyl-3,4-dihydroisoquinoline
PubChem CID14998911
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name5-chloro-1-phenyl-3,4-dihydroisoquinoline
SMILESClc1cccc2c1CCN=C2c1ccccc1
InChIInChI=1S/C15H12ClN/c16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyUXQZARDQRAEILG-UHFFFAOYSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-phenyl-3,4-dihydroisoquinoline?
The IUPAC name of 5-chloro-1-phenyl-3,4-dihydroisoquinoline (CID 14998911) is 5-chloro-1-phenyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 5-chloro-1-phenyl-3,4-dihydroisoquinoline?
The canonical SMILES for 5-chloro-1-phenyl-3,4-dihydroisoquinoline is Clc1cccc2c1CCN=C2c1ccccc1.
What is the InChIKey of 5-chloro-1-phenyl-3,4-dihydroisoquinoline?
The InChIKey is UXQZARDQRAEILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 5-chloro-1-phenyl-3,4-dihydroisoquinoline?
5-chloro-1-phenyl-3,4-dihydroisoquinoline has a molecular weight of 241.72 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-phenyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 14998911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).