ethane;4-ethenyl-5-methylphenanthrene

C19H20 — CID 143984038

IUPACethane;4-ethenyl-5-methylphenanthrene
SMILESC=Cc1cccc2ccc3cccc(C)c3c12.CC
InChIInChI=1S/C17H14.C2H6/c1-3-13-7-5-9-15-11-10-14-8-4-6-12(2)16(14)17(13)15;1-2/h3-11H,1H2,2H3;1-2H3
InChIKeyIREOQKJLKHBPNC-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.97
Rot. Bonds1

About ethane;4-ethenyl-5-methylphenanthrene

ethane;4-ethenyl-5-methylphenanthrene (PubChem CID 143984038) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is ethane;4-ethenyl-5-methylphenanthrene.

Molecular Properties

Compound Nameethane;4-ethenyl-5-methylphenanthrene
PubChem CID143984038
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Nameethane;4-ethenyl-5-methylphenanthrene
SMILESC=Cc1cccc2ccc3cccc(C)c3c12.CC
InChIInChI=1S/C17H14.C2H6/c1-3-13-7-5-9-15-11-10-14-8-4-6-12(2)16(14)17(13)15;1-2/h3-11H,1H2,2H3;1-2H3
InChIKeyIREOQKJLKHBPNC-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.97
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

4,5-dimethylphenanthrene;ethane
CID 143983787
8-ethenyl-1,2-dimethylnaphthalene
CID 123674776
5-ethenyl-1-methylphenanthrene
CID 156783838
5-ethenyl-4-methylphenanthren-1-ol
CID 134322524
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
1,8-dimethylnaphthalene;ethane
CID 91447117
1,2,8-tris(ethenyl)naphthalene
CID 23355506
1-ethenylpicene
CID 174294618
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
ethenoxyethene;1-ethenyl-2-methylbenzene
CID 175558522
1-ethenylperylene
CID 22173667
lithium;1-ethenyl-2-methylbenzene;hydride
CID 174441225

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-5-methylphenanthrene?
The IUPAC name of ethane;4-ethenyl-5-methylphenanthrene (CID 143984038) is ethane;4-ethenyl-5-methylphenanthrene.
What is the SMILES notation for ethane;4-ethenyl-5-methylphenanthrene?
The canonical SMILES for ethane;4-ethenyl-5-methylphenanthrene is C=Cc1cccc2ccc3cccc(C)c3c12.CC.
What is the InChIKey of ethane;4-ethenyl-5-methylphenanthrene?
The InChIKey is IREOQKJLKHBPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14.C2H6/c1-3-13-7-5-9-15-11-10-14-8-4-6-12(2)16(14)17(13)15;1-2/h3-11H,1H2,2H3;1-2H3.
What are the key properties of ethane;4-ethenyl-5-methylphenanthrene?
ethane;4-ethenyl-5-methylphenanthrene has a molecular weight of 248.37 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-5-methylphenanthrene is sourced from PubChem (CID 143984038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).