2-methylphenanthrene

C15H12 — CID 17321

IUPAC2-methylphenanthrene
SMILESCc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3
InChIKeyKANLOADZXMMCQA-UHFFFAOYSA-N
MW192.26 g/mol
LogP4.30
Rot. Bonds

About 2-methylphenanthrene

2-methylphenanthrene (PubChem CID 17321) has the molecular formula C15H12 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methylphenanthrene.

Molecular Properties

Compound Name2-methylphenanthrene
PubChem CID17321
Molecular FormulaC15H12
Molecular Weight192.26 g/mol
Exact Mass192.09
IUPAC Name2-methylphenanthrene
SMILESCc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3
InChIKeyKANLOADZXMMCQA-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 54.30
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 2-methylphenanthrene?
The IUPAC name of 2-methylphenanthrene (CID 17321) is 2-methylphenanthrene.
What is the SMILES notation for 2-methylphenanthrene?
The canonical SMILES for 2-methylphenanthrene is Cc1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of 2-methylphenanthrene?
The InChIKey is KANLOADZXMMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3.
What are the key properties of 2-methylphenanthrene?
2-methylphenanthrene has a molecular weight of 192.26 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphenanthrene is sourced from PubChem (CID 17321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).