3,6-dimethylphenanthrene

C16H14 — CID 15304

IUPAC3,6-dimethylphenanthrene
SMILESCc1ccc2ccc3ccc(C)cc3c2c1
InChIInChI=1S/C16H14/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)15(13)9-11/h3-10H,1-2H3
InChIKeyOMIBPZBOAJFEJS-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.61
Rot. Bonds

About 3,6-dimethylphenanthrene

3,6-dimethylphenanthrene (PubChem CID 15304) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3,6-dimethylphenanthrene.

Molecular Properties

Compound Name3,6-dimethylphenanthrene
PubChem CID15304
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name3,6-dimethylphenanthrene
SMILESCc1ccc2ccc3ccc(C)cc3c2c1
InChIInChI=1S/C16H14/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)15(13)9-11/h3-10H,1-2H3
InChIKeyOMIBPZBOAJFEJS-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.61
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 3,6-dimethylphenanthrene?
The IUPAC name of 3,6-dimethylphenanthrene (CID 15304) is 3,6-dimethylphenanthrene.
What is the SMILES notation for 3,6-dimethylphenanthrene?
The canonical SMILES for 3,6-dimethylphenanthrene is Cc1ccc2ccc3ccc(C)cc3c2c1.
What is the InChIKey of 3,6-dimethylphenanthrene?
The InChIKey is OMIBPZBOAJFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)15(13)9-11/h3-10H,1-2H3.
What are the key properties of 3,6-dimethylphenanthrene?
3,6-dimethylphenanthrene has a molecular weight of 206.29 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylphenanthrene is sourced from PubChem (CID 15304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).