1-methylphenanthrene

C15H12 — CID 13257

IUPAC1-methylphenanthrene
SMILESCc1cccc2c1ccc1ccccc12
InChIInChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3
InChIKeyDOWJXOHBNXRUOD-UHFFFAOYSA-N
MW192.26 g/mol
LogP4.30
Rot. Bonds

About 1-methylphenanthrene

1-methylphenanthrene (PubChem CID 13257) has the molecular formula C15H12 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methylphenanthrene.

Molecular Properties

Compound Name1-methylphenanthrene
PubChem CID13257
Molecular FormulaC15H12
Molecular Weight192.26 g/mol
Exact Mass192.09
IUPAC Name1-methylphenanthrene
SMILESCc1cccc2c1ccc1ccccc12
InChIInChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3
InChIKeyDOWJXOHBNXRUOD-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 1-methylphenanthrene?
The IUPAC name of 1-methylphenanthrene (CID 13257) is 1-methylphenanthrene.
What is the SMILES notation for 1-methylphenanthrene?
The canonical SMILES for 1-methylphenanthrene is Cc1cccc2c1ccc1ccccc12.
What is the InChIKey of 1-methylphenanthrene?
The InChIKey is DOWJXOHBNXRUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3.
What are the key properties of 1-methylphenanthrene?
1-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 1-methylphenanthrene is sourced from PubChem (CID 13257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).