5-ethenyl-1-methylphenanthrene

C17H14 — CID 156783838

IUPAC5-ethenyl-1-methylphenanthrene
SMILESC=Cc1cccc2ccc3c(C)cccc3c12
InChIInChI=1S/C17H14/c1-3-13-7-5-8-14-10-11-15-12(2)6-4-9-16(15)17(13)14/h3-11H,1H2,2H3
InChIKeyCGVMIBYMLQCQLU-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.94
Rot. Bonds1

About 5-ethenyl-1-methylphenanthrene

5-ethenyl-1-methylphenanthrene (PubChem CID 156783838) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-ethenyl-1-methylphenanthrene.

Molecular Properties

Compound Name5-ethenyl-1-methylphenanthrene
PubChem CID156783838
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name5-ethenyl-1-methylphenanthrene
SMILESC=Cc1cccc2ccc3c(C)cccc3c12
InChIInChI=1S/C17H14/c1-3-13-7-5-8-14-10-11-15-12(2)6-4-9-16(15)17(13)14/h3-11H,1H2,2H3
InChIKeyCGVMIBYMLQCQLU-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.94
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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Related Compounds

1-ethenylpicene
CID 174294618
ethane;4-ethenyl-5-methylphenanthrene
CID 143984038
8-ethenyl-1,2-dimethylnaphthalene
CID 123674776
5-ethenyl-4-methylphenanthren-1-ol
CID 134322524
1-ethenylperylene
CID 22173667
4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene
CID 144791949
1,2,8-tris(ethenyl)naphthalene
CID 23355506
methane;1-methylphenanthrene
CID 175001905
1,5-dimethylnaphthalene
CID 162159355
1-ethenylnaphthalene;propane
CID 90732485
3,4-dimethylperylene
CID 20583839
1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 67824410

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methylphenanthrene?
The IUPAC name of 5-ethenyl-1-methylphenanthrene (CID 156783838) is 5-ethenyl-1-methylphenanthrene.
What is the SMILES notation for 5-ethenyl-1-methylphenanthrene?
The canonical SMILES for 5-ethenyl-1-methylphenanthrene is C=Cc1cccc2ccc3c(C)cccc3c12.
What is the InChIKey of 5-ethenyl-1-methylphenanthrene?
The InChIKey is CGVMIBYMLQCQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-3-13-7-5-8-14-10-11-15-12(2)6-4-9-16(15)17(13)14/h3-11H,1H2,2H3.
What are the key properties of 5-ethenyl-1-methylphenanthrene?
5-ethenyl-1-methylphenanthrene has a molecular weight of 218.30 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methylphenanthrene is sourced from PubChem (CID 156783838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).