ethane;3-methyl-6-propan-2-ylphenanthrene

C20H24 — CID 145088146

IUPACethane;3-methyl-6-propan-2-ylphenanthrene
SMILESCC.Cc1ccc2ccc3ccc(C(C)C)cc3c2c1
InChIInChI=1S/C18H18.C2H6/c1-12(2)16-9-8-15-7-6-14-5-4-13(3)10-17(14)18(15)11-16;1-2/h4-12H,1-3H3;1-2H3
InChIKeyGVADNQWZRQOOQI-UHFFFAOYSA-N
MW264.41 g/mol
LogP6.45
Rot. Bonds1

About ethane;3-methyl-6-propan-2-ylphenanthrene

ethane;3-methyl-6-propan-2-ylphenanthrene (PubChem CID 145088146) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;3-methyl-6-propan-2-ylphenanthrene.

Molecular Properties

Compound Nameethane;3-methyl-6-propan-2-ylphenanthrene
PubChem CID145088146
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Nameethane;3-methyl-6-propan-2-ylphenanthrene
SMILESCC.Cc1ccc2ccc3ccc(C(C)C)cc3c2c1
InChIInChI=1S/C18H18.C2H6/c1-12(2)16-9-8-15-7-6-14-5-4-13(3)10-17(14)18(15)11-16;1-2/h4-12H,1-3H3;1-2H3
InChIKeyGVADNQWZRQOOQI-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.45
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 ethane;3-methyl-6-propan-2-ylphenanthrene?
The IUPAC name of ethane;3-methyl-6-propan-2-ylphenanthrene (CID 145088146) is ethane;3-methyl-6-propan-2-ylphenanthrene.
What is the SMILES notation for ethane;3-methyl-6-propan-2-ylphenanthrene?
The canonical SMILES for ethane;3-methyl-6-propan-2-ylphenanthrene is CC.Cc1ccc2ccc3ccc(C(C)C)cc3c2c1.
What is the InChIKey of ethane;3-methyl-6-propan-2-ylphenanthrene?
The InChIKey is GVADNQWZRQOOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.C2H6/c1-12(2)16-9-8-15-7-6-14-5-4-13(3)10-17(14)18(15)11-16;1-2/h4-12H,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-6-propan-2-ylphenanthrene?
ethane;3-methyl-6-propan-2-ylphenanthrene has a molecular weight of 264.41 g/mol, XLogP of 6.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-6-propan-2-ylphenanthrene is sourced from PubChem (CID 145088146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).