6-bromo-2-methylphenanthrene

C15H11Br — CID 15159136

IUPAC6-bromo-2-methylphenanthrene
SMILESCc1ccc2c(ccc3ccc(Br)cc32)c1
InChIInChI=1S/C15H11Br/c1-10-2-7-14-12(8-10)4-3-11-5-6-13(16)9-15(11)14/h2-9H,1H3
InChIKeyJRWQEERNNYXELW-UHFFFAOYSA-N
MW271.16 g/mol
LogP5.06
Rot. Bonds

About 6-bromo-2-methylphenanthrene

6-bromo-2-methylphenanthrene (PubChem CID 15159136) has the molecular formula C15H11Br and a molecular weight of 271.16 g/mol. Its IUPAC name is 6-bromo-2-methylphenanthrene.

Molecular Properties

Compound Name6-bromo-2-methylphenanthrene
PubChem CID15159136
Molecular FormulaC15H11Br
Molecular Weight271.16 g/mol
Exact Mass270.00
IUPAC Name6-bromo-2-methylphenanthrene
SMILESCc1ccc2c(ccc3ccc(Br)cc32)c1
InChIInChI=1S/C15H11Br/c1-10-2-7-14-12(8-10)4-3-11-5-6-13(16)9-15(11)14/h2-9H,1H3
InChIKeyJRWQEERNNYXELW-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.16
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylphenanthrene?
The IUPAC name of 6-bromo-2-methylphenanthrene (CID 15159136) is 6-bromo-2-methylphenanthrene.
What is the SMILES notation for 6-bromo-2-methylphenanthrene?
The canonical SMILES for 6-bromo-2-methylphenanthrene is Cc1ccc2c(ccc3ccc(Br)cc32)c1.
What is the InChIKey of 6-bromo-2-methylphenanthrene?
The InChIKey is JRWQEERNNYXELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br/c1-10-2-7-14-12(8-10)4-3-11-5-6-13(16)9-15(11)14/h2-9H,1H3.
What are the key properties of 6-bromo-2-methylphenanthrene?
6-bromo-2-methylphenanthrene has a molecular weight of 271.16 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylphenanthrene is sourced from PubChem (CID 15159136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).