5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene

C20H20O2 — CID 11000837

IUPAC5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene
SMILESC=Cc1c(C)c(OC)cc2ccc3c(C)c(OC)ccc3c12
InChIInChI=1S/C20H20O2/c1-6-15-12(2)19(22-5)11-14-7-8-16-13(3)18(21-4)10-9-17(16)20(14)15/h6-11H,1H2,2-5H3
InChIKeyRPQQDJRIZQZQDN-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.27
Rot. Bonds3

About 5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene

5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene (PubChem CID 11000837) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene.

Molecular Properties

Compound Name5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene
PubChem CID11000837
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene
SMILESC=Cc1c(C)c(OC)cc2ccc3c(C)c(OC)ccc3c12
InChIInChI=1S/C20H20O2/c1-6-15-12(2)19(22-5)11-14-7-8-16-13(3)18(21-4)10-9-17(16)20(14)15/h6-11H,1H2,2-5H3
InChIKeyRPQQDJRIZQZQDN-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene?
The IUPAC name of 5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene (CID 11000837) is 5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene.
What is the SMILES notation for 5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene?
The canonical SMILES for 5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene is C=Cc1c(C)c(OC)cc2ccc3c(C)c(OC)ccc3c12.
What is the InChIKey of 5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene?
The InChIKey is RPQQDJRIZQZQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-6-15-12(2)19(22-5)11-14-7-8-16-13(3)18(21-4)10-9-17(16)20(14)15/h6-11H,1H2,2-5H3.
What are the key properties of 5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene?
5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene has a molecular weight of 292.38 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,7-dimethoxy-1,6-dimethylphenanthrene is sourced from PubChem (CID 11000837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).