2-Phenylquinoline

• Catalog Number: ACM612964-1
• Product Name: 2-Phenylquinoline
• CAS: 612-96-4
• Category: Quinolines
• Synonyms: Quinoline, 2-Phenyl-
• IUPAC Name: 2-phenylquinoline
• Molecular Weight: 205.25
• Molecular Formula: C15H11N
• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2
• InChI: FSEXLNMNADBYJU-UHFFFAOYSA-N
• InChI Key: InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H
• Boiling Point: 363.0 °C
• Melting Point: 84-85 °C-lit.
• Appearance: White powder
• Complexity: 220
• Covalently-Bonded Unit Count: 1
• EC Number: 210-326-7
• Exact Mass: 205.089149g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Isomeric SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2
• LogP: 3.9 (LogP)
• Monoisotopic Mass: 205.089149g/mol
• NSC Number: 118137
• Rotatable Bond Count: 1
• XLogP3: 3.9

Custom Q&A

What is the molecular formula of 2-Phenylquinoline?

The molecular formula of 2-Phenylquinoline is C15H11N.

What is the molecular weight of 2-Phenylquinoline?

The molecular weight of 2-Phenylquinoline is 205.25 g/mol.

How is the IUPAC name of 2-Phenylquinoline computed?

The IUPAC name of 2-Phenylquinoline is computed by Lexichem TK 2.7.0.

What is the InChI of 2-Phenylquinoline?

The InChI of 2-Phenylquinoline is "InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H".

What is the InChIKey of 2-Phenylquinoline?

The InChIKey of 2-Phenylquinoline is "FSEXLNMNADBYJU-UHFFFAOYSA-N".

What is the canonical SMILES representation of 2-Phenylquinoline?

The canonical SMILES representation of 2-Phenylquinoline is "C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2".

What is the CAS number of 2-Phenylquinoline?

The CAS number of 2-Phenylquinoline is 612-96-4.

What is the EC number of 2-Phenylquinoline?

The EC number of 2-Phenylquinoline is 210-326-7.

What is the ChEMBL ID of 2-Phenylquinoline?

The ChEMBL ID of 2-Phenylquinoline is CHEMBL89786.

What is the XLogP3 value of 2-Phenylquinoline?

The XLogP3 value of 2-Phenylquinoline is 3.9.