2,7-dimethylphenanthrene;ethane

C22H32 — CID 91503011

IUPAC2,7-dimethylphenanthrene;ethane
SMILESCC.CC.CC.Cc1ccc2c(ccc3cc(C)ccc32)c1
InChIInChI=1S/C16H14.3C2H6/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;3*1-2/h3-10H,1-2H3;3*1-2H3
InChIKeyZMICWEUTRDHAQZ-UHFFFAOYSA-N
MW296.50 g/mol
LogP7.69
Rot. Bonds

About 2,7-dimethylphenanthrene;ethane

2,7-dimethylphenanthrene;ethane (PubChem CID 91503011) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2,7-dimethylphenanthrene;ethane.

Molecular Properties

Compound Name2,7-dimethylphenanthrene;ethane
PubChem CID91503011
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name2,7-dimethylphenanthrene;ethane
SMILESCC.CC.CC.Cc1ccc2c(ccc3cc(C)ccc32)c1
InChIInChI=1S/C16H14.3C2H6/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;3*1-2/h3-10H,1-2H3;3*1-2H3
InChIKeyZMICWEUTRDHAQZ-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 57.69
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 2,7-dimethylphenanthrene;ethane?
The IUPAC name of 2,7-dimethylphenanthrene;ethane (CID 91503011) is 2,7-dimethylphenanthrene;ethane.
What is the SMILES notation for 2,7-dimethylphenanthrene;ethane?
The canonical SMILES for 2,7-dimethylphenanthrene;ethane is CC.CC.CC.Cc1ccc2c(ccc3cc(C)ccc32)c1.
What is the InChIKey of 2,7-dimethylphenanthrene;ethane?
The InChIKey is ZMICWEUTRDHAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.3C2H6/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;3*1-2/h3-10H,1-2H3;3*1-2H3.
What are the key properties of 2,7-dimethylphenanthrene;ethane?
2,7-dimethylphenanthrene;ethane has a molecular weight of 296.50 g/mol, XLogP of 7.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylphenanthrene;ethane is sourced from PubChem (CID 91503011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).