2-Methylbenzo(C)phenanthrene

C19H14 — CID 17454

About 2-Methylbenzo(C)phenanthrene

2-Methylbenzo(C)phenanthrene (PubChem CID 17454) has the molecular formula C19H14 and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methylbenzo[c]phenanthrene.

Molecular Properties

• Compound Name: 2-Methylbenzo(C)phenanthrene
• PubChem CID: 17454
• Molecular Formula: C19H14
• Molecular Weight: 242.30 g/mol
• Exact Mass: 242.11
• IUPAC Name: 2-methylbenzo[c]phenanthrene
• SMILES: CC1=CC2=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3
• InChIKey: BJUXRTTZOOHUQP-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 0.00 Ų
• H-Bond Donors: 0
• H-Bond Acceptors: 0
• Rotatable Bonds: 0
• Heavy Atoms: 19
• Complexity: 320

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	242.30
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}