2-ethyl-7-methylphenanthrene

C17H16 — CID 59758331

IUPAC2-ethyl-7-methylphenanthrene
SMILESCCc1ccc2c(ccc3cc(C)ccc32)c1
InChIInChI=1S/C17H16/c1-3-13-5-9-17-15(11-13)7-6-14-10-12(2)4-8-16(14)17/h4-11H,3H2,1-2H3
InChIKeyVPMMQDMPGSAZLI-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.86
Rot. Bonds1

About 2-ethyl-7-methylphenanthrene

2-ethyl-7-methylphenanthrene (PubChem CID 59758331) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-ethyl-7-methylphenanthrene.

Molecular Properties

Compound Name2-ethyl-7-methylphenanthrene
PubChem CID59758331
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name2-ethyl-7-methylphenanthrene
SMILESCCc1ccc2c(ccc3cc(C)ccc32)c1
InChIInChI=1S/C17H16/c1-3-13-5-9-17-15(11-13)7-6-14-10-12(2)4-8-16(14)17/h4-11H,3H2,1-2H3
InChIKeyVPMMQDMPGSAZLI-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.86
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-ethyl-7-methylphenanthrene?
The IUPAC name of 2-ethyl-7-methylphenanthrene (CID 59758331) is 2-ethyl-7-methylphenanthrene.
What is the SMILES notation for 2-ethyl-7-methylphenanthrene?
The canonical SMILES for 2-ethyl-7-methylphenanthrene is CCc1ccc2c(ccc3cc(C)ccc32)c1.
What is the InChIKey of 2-ethyl-7-methylphenanthrene?
The InChIKey is VPMMQDMPGSAZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-3-13-5-9-17-15(11-13)7-6-14-10-12(2)4-8-16(14)17/h4-11H,3H2,1-2H3.
What are the key properties of 2-ethyl-7-methylphenanthrene?
2-ethyl-7-methylphenanthrene has a molecular weight of 220.31 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methylphenanthrene is sourced from PubChem (CID 59758331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).