3-methylphenanthrene

C15H12 — CID 13258

IUPAC3-methylphenanthrene
SMILESCc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C15H12/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h2-10H,1H3
InChIKeyGKYWZUBZZBHZKU-UHFFFAOYSA-N
MW192.26 g/mol
LogP4.30
Rot. Bonds

About 3-methylphenanthrene

3-methylphenanthrene (PubChem CID 13258) has the molecular formula C15H12 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methylphenanthrene.

Molecular Properties

Compound Name3-methylphenanthrene
PubChem CID13258
Molecular FormulaC15H12
Molecular Weight192.26 g/mol
Exact Mass192.09
IUPAC Name3-methylphenanthrene
SMILESCc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C15H12/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h2-10H,1H3
InChIKeyGKYWZUBZZBHZKU-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 3-methylphenanthrene?
The IUPAC name of 3-methylphenanthrene (CID 13258) is 3-methylphenanthrene.
What is the SMILES notation for 3-methylphenanthrene?
The canonical SMILES for 3-methylphenanthrene is Cc1ccc2ccc3ccccc3c2c1.
What is the InChIKey of 3-methylphenanthrene?
The InChIKey is GKYWZUBZZBHZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h2-10H,1H3.
What are the key properties of 3-methylphenanthrene?
3-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 3-methylphenanthrene is sourced from PubChem (CID 13258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).