anisole;argon;propane

C13H24ArO — CID 165043377

IUPACanisole;argon;propane
SMILESCCC.CCC.COc1ccccc1.[Ar]
InChIInChI=1S/C7H8O.2C3H8.Ar/c1-8-7-5-3-2-4-6-7;2*1-3-2;/h2-6H,1H3;2*3H2,1-2H3;
InChIKeyOMPZQFJMVXFQJC-UHFFFAOYSA-N
MW236.28 g/mol
LogP4.53
Rot. Bonds1

About anisole;argon;propane

anisole;argon;propane (PubChem CID 165043377) has the molecular formula C13H24ArO and a molecular weight of 236.28 g/mol. Its IUPAC name is anisole;argon;propane.

Molecular Properties

Compound Nameanisole;argon;propane
PubChem CID165043377
Molecular FormulaC13H24ArO
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Nameanisole;argon;propane
SMILESCCC.CCC.COc1ccccc1.[Ar]
InChIInChI=1S/C7H8O.2C3H8.Ar/c1-8-7-5-3-2-4-6-7;2*1-3-2;/h2-6H,1H3;2*3H2,1-2H3;
InChIKeyOMPZQFJMVXFQJC-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of anisole;argon;propane?
The IUPAC name of anisole;argon;propane (CID 165043377) is anisole;argon;propane.
What is the SMILES notation for anisole;argon;propane?
The canonical SMILES for anisole;argon;propane is CCC.CCC.COc1ccccc1.[Ar].
What is the InChIKey of anisole;argon;propane?
The InChIKey is OMPZQFJMVXFQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.2C3H8.Ar/c1-8-7-5-3-2-4-6-7;2*1-3-2;/h2-6H,1H3;2*3H2,1-2H3;.
What are the key properties of anisole;argon;propane?
anisole;argon;propane has a molecular weight of 236.28 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;argon;propane is sourced from PubChem (CID 165043377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).